USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 762 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 LYS NZ :NH3+ -150:sc= 0.644 (180deg=-0.224) USER MOD Set 1.2: A 29 SER OG : rot 130:sc= 0.576 USER MOD Set 2.1: A 4 LYS NZ :NH3+ -156:sc= 0.695 (180deg=0) USER MOD Set 2.2: A 67 THR OG1 : rot -111:sc= -1.66 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 9:sc= 0.737 USER MOD Single : A 20 LYS NZ :NH3+ -117:sc= -0.25 (180deg=-1.31) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.205 USER MOD Single : A 35 TYR OH : rot 56:sc= -1.38! USER MOD Single : A 37 THR OG1 : rot 112:sc= -0.0792 USER MOD Single : A 38 ASN : amide:sc= -0.48 X(o=-0.48,f=-0.045) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 35:sc=-0.000846 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.094 USER MOD Single : A 52 THR OG1 : rot 84:sc= 0.672 USER MOD Single : A 56 LYS NZ :NH3+ -141:sc= 0.824 (180deg=-0.176) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 30:sc= -2.42! USER MOD Single : A 62 LYS NZ :NH3+ -172:sc= 0.0877 (180deg=0.0777) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 60:sc= -0.0123 USER MOD Single : A 77 LYS NZ :NH3+ -140:sc= -0.0924 (180deg=-0.711) USER MOD Single : A 84 LYS NZ :NH3+ 149:sc= -0.14 (180deg=-0.898) USER MOD Single : A 85 HIS : no HD1:sc= -9.5! C(o=-9.5!,f=-12!) USER MOD Single : A 86 TYR OH : rot 172:sc= 0.0649! USER MOD Single : A 87 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.038 -14.153 -2.461 1.00 2.49 N ATOM 2 CA MET A 1 6.913 -12.719 -2.828 1.00 1.48 C ATOM 3 C MET A 1 5.924 -12.528 -3.974 1.00 1.01 C ATOM 4 O MET A 1 6.144 -13.013 -5.083 1.00 1.55 O ATOM 5 CB MET A 1 8.293 -12.196 -3.229 1.00 1.69 C ATOM 6 CG MET A 1 9.176 -11.841 -2.044 1.00 1.71 C ATOM 7 SD MET A 1 10.690 -10.993 -2.536 1.00 2.21 S ATOM 8 CE MET A 1 10.823 -9.762 -1.243 1.00 2.67 C ATOM 0 H1 MET A 1 7.717 -14.253 -1.679 1.00 2.49 H new ATOM 0 H2 MET A 1 6.111 -14.517 -2.163 1.00 2.49 H new ATOM 0 H3 MET A 1 7.374 -14.694 -3.283 1.00 2.49 H new ATOM 0 HA MET A 1 6.535 -12.162 -1.971 1.00 1.48 H new ATOM 0 HB2 MET A 1 8.797 -12.950 -3.834 1.00 1.69 H new ATOM 0 HB3 MET A 1 8.170 -11.314 -3.857 1.00 1.69 H new ATOM 0 HG2 MET A 1 8.616 -11.208 -1.356 1.00 1.71 H new ATOM 0 HG3 MET A 1 9.433 -12.751 -1.502 1.00 1.71 H new ATOM 0 HE1 MET A 1 11.714 -9.156 -1.408 1.00 2.67 H new ATOM 0 HE2 MET A 1 9.941 -9.122 -1.258 1.00 2.67 H new ATOM 0 HE3 MET A 1 10.896 -10.258 -0.275 1.00 2.67 H new ATOM 20 N GLU A 2 4.837 -11.816 -3.697 1.00 0.62 N ATOM 21 CA GLU A 2 3.817 -11.559 -4.706 1.00 0.43 C ATOM 22 C GLU A 2 3.186 -10.184 -4.508 1.00 0.39 C ATOM 23 O GLU A 2 2.095 -10.065 -3.949 1.00 0.56 O ATOM 24 CB GLU A 2 2.735 -12.638 -4.656 1.00 0.96 C ATOM 25 CG GLU A 2 2.165 -12.987 -6.021 1.00 1.73 C ATOM 26 CD GLU A 2 0.675 -12.725 -6.115 1.00 2.34 C ATOM 27 OE1 GLU A 2 0.167 -11.900 -5.327 1.00 2.92 O ATOM 28 OE2 GLU A 2 0.016 -13.346 -6.975 1.00 2.59 O ATOM 0 H GLU A 2 4.640 -11.407 -2.783 1.00 0.62 H new ATOM 0 HA GLU A 2 4.299 -11.581 -5.683 1.00 0.43 H new ATOM 0 HB2 GLU A 2 3.151 -13.538 -4.204 1.00 0.96 H new ATOM 0 HB3 GLU A 2 1.926 -12.301 -4.008 1.00 0.96 H new ATOM 0 HG2 GLU A 2 2.681 -12.406 -6.785 1.00 1.73 H new ATOM 0 HG3 GLU A 2 2.359 -14.038 -6.234 1.00 1.73 H new ATOM 35 N VAL A 3 3.878 -9.151 -4.971 1.00 0.37 N ATOM 36 CA VAL A 3 3.384 -7.784 -4.855 1.00 0.36 C ATOM 37 C VAL A 3 2.688 -7.350 -6.139 1.00 0.34 C ATOM 38 O VAL A 3 3.337 -7.105 -7.156 1.00 0.49 O ATOM 39 CB VAL A 3 4.526 -6.800 -4.550 1.00 0.46 C ATOM 40 CG1 VAL A 3 3.978 -5.464 -4.076 1.00 0.47 C ATOM 41 CG2 VAL A 3 5.480 -7.389 -3.523 1.00 0.66 C ATOM 0 H VAL A 3 4.785 -9.234 -5.431 1.00 0.37 H new ATOM 0 HA VAL A 3 2.672 -7.769 -4.030 1.00 0.36 H new ATOM 0 HB VAL A 3 5.082 -6.627 -5.472 1.00 0.46 H new ATOM 0 HG11 VAL A 3 4.805 -4.785 -3.867 1.00 0.47 H new ATOM 0 HG12 VAL A 3 3.344 -5.035 -4.852 1.00 0.47 H new ATOM 0 HG13 VAL A 3 3.392 -5.612 -3.169 1.00 0.47 H new ATOM 0 HG21 VAL A 3 6.281 -6.678 -3.321 1.00 0.66 H new ATOM 0 HG22 VAL A 3 4.938 -7.597 -2.601 1.00 0.66 H new ATOM 0 HG23 VAL A 3 5.906 -8.314 -3.911 1.00 0.66 H new ATOM 51 N LYS A 4 1.363 -7.263 -6.091 1.00 0.29 N ATOM 52 CA LYS A 4 0.588 -6.875 -7.261 1.00 0.31 C ATOM 53 C LYS A 4 0.002 -5.478 -7.099 1.00 0.30 C ATOM 54 O LYS A 4 -0.295 -5.045 -5.987 1.00 0.30 O ATOM 55 CB LYS A 4 -0.530 -7.895 -7.520 1.00 0.32 C ATOM 56 CG LYS A 4 -1.757 -7.744 -6.624 1.00 0.31 C ATOM 57 CD LYS A 4 -1.591 -8.493 -5.315 1.00 0.40 C ATOM 58 CE LYS A 4 -2.937 -8.782 -4.672 1.00 0.44 C ATOM 59 NZ LYS A 4 -3.016 -10.174 -4.148 1.00 1.09 N ATOM 0 H LYS A 4 0.807 -7.455 -5.258 1.00 0.29 H new ATOM 0 HA LYS A 4 1.260 -6.859 -8.119 1.00 0.31 H new ATOM 0 HB2 LYS A 4 -0.845 -7.811 -8.560 1.00 0.32 H new ATOM 0 HB3 LYS A 4 -0.124 -8.898 -7.390 1.00 0.32 H new ATOM 0 HG2 LYS A 4 -1.930 -6.688 -6.419 1.00 0.31 H new ATOM 0 HG3 LYS A 4 -2.638 -8.116 -7.147 1.00 0.31 H new ATOM 0 HD2 LYS A 4 -1.062 -9.429 -5.493 1.00 0.40 H new ATOM 0 HD3 LYS A 4 -0.978 -7.905 -4.632 1.00 0.40 H new ATOM 0 HE2 LYS A 4 -3.109 -8.078 -3.858 1.00 0.44 H new ATOM 0 HE3 LYS A 4 -3.730 -8.624 -5.403 1.00 0.44 H new ATOM 0 HZ1 LYS A 4 -4.012 -10.469 -4.096 1.00 1.09 H new ATOM 0 HZ2 LYS A 4 -2.498 -10.814 -4.783 1.00 1.09 H new ATOM 0 HZ3 LYS A 4 -2.593 -10.212 -3.198 1.00 1.09 H new ATOM 73 N ILE A 5 -0.186 -4.788 -8.216 1.00 0.31 N ATOM 74 CA ILE A 5 -0.776 -3.457 -8.197 1.00 0.33 C ATOM 75 C ILE A 5 -2.000 -3.396 -9.099 1.00 0.33 C ATOM 76 O ILE A 5 -1.900 -3.582 -10.311 1.00 0.42 O ATOM 77 CB ILE A 5 0.237 -2.385 -8.637 1.00 0.45 C ATOM 78 CG1 ILE A 5 1.525 -2.517 -7.823 1.00 0.50 C ATOM 79 CG2 ILE A 5 -0.359 -0.994 -8.476 1.00 0.47 C ATOM 80 CD1 ILE A 5 2.593 -3.337 -8.509 1.00 0.80 C ATOM 0 H ILE A 5 0.061 -5.128 -9.145 1.00 0.31 H new ATOM 0 HA ILE A 5 -1.075 -3.252 -7.169 1.00 0.33 H new ATOM 0 HB ILE A 5 0.474 -2.535 -9.690 1.00 0.45 H new ATOM 0 HG12 ILE A 5 1.919 -1.522 -7.618 1.00 0.50 H new ATOM 0 HG13 ILE A 5 1.292 -2.972 -6.860 1.00 0.50 H new ATOM 0 HG21 ILE A 5 0.370 -0.247 -8.791 1.00 0.47 H new ATOM 0 HG22 ILE A 5 -1.255 -0.909 -9.091 1.00 0.47 H new ATOM 0 HG23 ILE A 5 -0.619 -0.828 -7.431 1.00 0.47 H new ATOM 0 HD11 ILE A 5 3.477 -3.388 -7.874 1.00 0.80 H new ATOM 0 HD12 ILE A 5 2.218 -4.344 -8.690 1.00 0.80 H new ATOM 0 HD13 ILE A 5 2.855 -2.871 -9.459 1.00 0.80 H new ATOM 92 N GLU A 6 -3.157 -3.140 -8.500 1.00 0.29 N ATOM 93 CA GLU A 6 -4.401 -3.069 -9.254 1.00 0.34 C ATOM 94 C GLU A 6 -5.394 -2.144 -8.568 1.00 0.31 C ATOM 95 O GLU A 6 -5.341 -1.958 -7.356 1.00 0.32 O ATOM 96 CB GLU A 6 -5.007 -4.465 -9.411 1.00 0.41 C ATOM 97 CG GLU A 6 -4.082 -5.456 -10.099 1.00 0.79 C ATOM 98 CD GLU A 6 -4.811 -6.691 -10.592 1.00 1.35 C ATOM 99 OE1 GLU A 6 -6.049 -6.627 -10.748 1.00 2.00 O ATOM 100 OE2 GLU A 6 -4.145 -7.721 -10.822 1.00 1.86 O ATOM 0 H GLU A 6 -3.259 -2.979 -7.498 1.00 0.29 H new ATOM 0 HA GLU A 6 -4.179 -2.666 -10.242 1.00 0.34 H new ATOM 0 HB2 GLU A 6 -5.271 -4.850 -8.426 1.00 0.41 H new ATOM 0 HB3 GLU A 6 -5.933 -4.388 -9.982 1.00 0.41 H new ATOM 0 HG2 GLU A 6 -3.594 -4.967 -10.942 1.00 0.79 H new ATOM 0 HG3 GLU A 6 -3.296 -5.755 -9.405 1.00 0.79 H new ATOM 107 N LYS A 7 -6.278 -1.542 -9.351 1.00 0.36 N ATOM 108 CA LYS A 7 -7.289 -0.651 -8.801 1.00 0.36 C ATOM 109 C LYS A 7 -8.615 -1.392 -8.630 1.00 0.37 C ATOM 110 O LYS A 7 -9.261 -1.738 -9.619 1.00 0.43 O ATOM 111 CB LYS A 7 -7.483 0.563 -9.714 1.00 0.42 C ATOM 112 CG LYS A 7 -6.517 1.702 -9.428 1.00 0.51 C ATOM 113 CD LYS A 7 -5.898 2.242 -10.707 1.00 0.76 C ATOM 114 CE LYS A 7 -5.051 1.190 -11.404 1.00 1.18 C ATOM 115 NZ LYS A 7 -4.232 1.773 -12.502 1.00 1.91 N ATOM 0 H LYS A 7 -6.316 -1.654 -10.364 1.00 0.36 H new ATOM 0 HA LYS A 7 -6.950 -0.306 -7.824 1.00 0.36 H new ATOM 0 HB2 LYS A 7 -7.365 0.249 -10.751 1.00 0.42 H new ATOM 0 HB3 LYS A 7 -8.504 0.928 -9.606 1.00 0.42 H new ATOM 0 HG2 LYS A 7 -7.042 2.504 -8.910 1.00 0.51 H new ATOM 0 HG3 LYS A 7 -5.729 1.353 -8.760 1.00 0.51 H new ATOM 0 HD2 LYS A 7 -6.687 2.580 -11.380 1.00 0.76 H new ATOM 0 HD3 LYS A 7 -5.282 3.111 -10.476 1.00 0.76 H new ATOM 0 HE2 LYS A 7 -4.395 0.712 -10.676 1.00 1.18 H new ATOM 0 HE3 LYS A 7 -5.699 0.412 -11.808 1.00 1.18 H new ATOM 0 HZ1 LYS A 7 -3.669 1.023 -12.951 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 -4.859 2.207 -13.210 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 -3.595 2.497 -12.113 1.00 1.91 H new ATOM 129 N PRO A 8 -9.118 -1.519 -7.387 1.00 0.35 N ATOM 130 CA PRO A 8 -10.340 -2.271 -7.115 1.00 0.39 C ATOM 131 C PRO A 8 -11.488 -1.882 -8.045 1.00 0.51 C ATOM 132 O PRO A 8 -11.506 -0.791 -8.616 1.00 0.72 O ATOM 133 CB PRO A 8 -10.672 -1.908 -5.654 1.00 0.44 C ATOM 134 CG PRO A 8 -9.548 -1.038 -5.167 1.00 0.60 C ATOM 135 CD PRO A 8 -8.421 -1.213 -6.135 1.00 0.33 C ATOM 0 HA PRO A 8 -10.202 -3.340 -7.277 1.00 0.39 H new ATOM 0 HB2 PRO A 8 -11.625 -1.383 -5.591 1.00 0.44 H new ATOM 0 HB3 PRO A 8 -10.762 -2.805 -5.042 1.00 0.44 H new ATOM 0 HG2 PRO A 8 -9.859 0.006 -5.119 1.00 0.60 H new ATOM 0 HG3 PRO A 8 -9.243 -1.326 -4.161 1.00 0.60 H new ATOM 0 HD2 PRO A 8 -7.815 -0.311 -6.219 1.00 0.33 H new ATOM 0 HD3 PRO A 8 -7.752 -2.020 -5.836 1.00 0.33 H new ATOM 143 N THR A 9 -12.392 -2.835 -8.259 1.00 0.48 N ATOM 144 CA THR A 9 -13.517 -2.675 -9.177 1.00 0.63 C ATOM 145 C THR A 9 -14.135 -1.272 -9.192 1.00 0.87 C ATOM 146 O THR A 9 -14.382 -0.738 -10.273 1.00 1.46 O ATOM 147 CB THR A 9 -14.591 -3.697 -8.846 1.00 0.64 C ATOM 148 OG1 THR A 9 -14.080 -5.015 -8.944 1.00 1.47 O ATOM 149 CG2 THR A 9 -15.810 -3.605 -9.738 1.00 1.31 C ATOM 0 H THR A 9 -12.365 -3.745 -7.798 1.00 0.48 H new ATOM 0 HA THR A 9 -13.111 -2.834 -10.176 1.00 0.63 H new ATOM 0 HB THR A 9 -14.896 -3.468 -7.825 1.00 0.64 H new ATOM 0 HG1 THR A 9 -14.787 -5.657 -8.725 1.00 1.47 H new ATOM 0 HG21 THR A 9 -16.534 -4.364 -9.444 1.00 1.31 H new ATOM 0 HG22 THR A 9 -16.260 -2.617 -9.639 1.00 1.31 H new ATOM 0 HG23 THR A 9 -15.515 -3.767 -10.775 1.00 1.31 H new ATOM 157 N PRO A 10 -14.555 -0.701 -8.039 1.00 0.75 N ATOM 158 CA PRO A 10 -14.307 -1.189 -6.690 1.00 1.04 C ATOM 159 C PRO A 10 -15.542 -1.787 -6.006 1.00 0.88 C ATOM 160 O PRO A 10 -15.630 -1.802 -4.780 1.00 1.00 O ATOM 161 CB PRO A 10 -13.885 0.103 -5.970 1.00 1.48 C ATOM 162 CG PRO A 10 -14.358 1.232 -6.835 1.00 1.30 C ATOM 163 CD PRO A 10 -15.152 0.616 -7.944 1.00 0.69 C ATOM 0 HA PRO A 10 -13.581 -2.002 -6.677 1.00 1.04 H new ATOM 0 HB2 PRO A 10 -14.331 0.159 -4.977 1.00 1.48 H new ATOM 0 HB3 PRO A 10 -12.804 0.140 -5.837 1.00 1.48 H new ATOM 0 HG2 PRO A 10 -14.969 1.930 -6.262 1.00 1.30 H new ATOM 0 HG3 PRO A 10 -13.514 1.797 -7.230 1.00 1.30 H new ATOM 0 HD2 PRO A 10 -16.215 0.567 -7.708 1.00 0.69 H new ATOM 0 HD3 PRO A 10 -15.058 1.176 -8.874 1.00 0.69 H new ATOM 171 N GLU A 11 -16.469 -2.336 -6.779 1.00 0.71 N ATOM 172 CA GLU A 11 -17.630 -2.992 -6.191 1.00 0.78 C ATOM 173 C GLU A 11 -17.163 -4.083 -5.229 1.00 0.67 C ATOM 174 O GLU A 11 -17.856 -4.419 -4.272 1.00 0.75 O ATOM 175 CB GLU A 11 -18.523 -3.589 -7.279 1.00 0.84 C ATOM 176 CG GLU A 11 -19.956 -3.087 -7.232 1.00 1.27 C ATOM 177 CD GLU A 11 -20.042 -1.577 -7.142 1.00 2.11 C ATOM 178 OE1 GLU A 11 -19.029 -0.906 -7.434 1.00 2.59 O ATOM 179 OE2 GLU A 11 -21.121 -1.063 -6.780 1.00 2.71 O ATOM 0 H GLU A 11 -16.442 -2.341 -7.799 1.00 0.71 H new ATOM 0 HA GLU A 11 -18.215 -2.253 -5.643 1.00 0.78 H new ATOM 0 HB2 GLU A 11 -18.097 -3.357 -8.255 1.00 0.84 H new ATOM 0 HB3 GLU A 11 -18.524 -4.675 -7.182 1.00 0.84 H new ATOM 0 HG2 GLU A 11 -20.485 -3.425 -8.123 1.00 1.27 H new ATOM 0 HG3 GLU A 11 -20.464 -3.528 -6.374 1.00 1.27 H new ATOM 186 N LYS A 12 -15.960 -4.600 -5.474 1.00 0.56 N ATOM 187 CA LYS A 12 -15.355 -5.590 -4.602 1.00 0.53 C ATOM 188 C LYS A 12 -15.143 -4.994 -3.218 1.00 0.48 C ATOM 189 O LYS A 12 -15.189 -5.695 -2.207 1.00 0.50 O ATOM 190 CB LYS A 12 -14.019 -6.063 -5.179 1.00 0.53 C ATOM 191 CG LYS A 12 -13.871 -7.575 -5.207 1.00 0.86 C ATOM 192 CD LYS A 12 -13.005 -8.027 -6.371 1.00 0.66 C ATOM 193 CE LYS A 12 -11.563 -8.244 -5.940 1.00 0.83 C ATOM 194 NZ LYS A 12 -11.363 -9.586 -5.326 1.00 1.47 N ATOM 0 H LYS A 12 -15.386 -4.343 -6.277 1.00 0.56 H new ATOM 0 HA LYS A 12 -16.023 -6.448 -4.525 1.00 0.53 H new ATOM 0 HB2 LYS A 12 -13.913 -5.677 -6.193 1.00 0.53 H new ATOM 0 HB3 LYS A 12 -13.207 -5.637 -4.590 1.00 0.53 H new ATOM 0 HG2 LYS A 12 -13.431 -7.916 -4.270 1.00 0.86 H new ATOM 0 HG3 LYS A 12 -14.855 -8.037 -5.283 1.00 0.86 H new ATOM 0 HD2 LYS A 12 -13.405 -8.952 -6.786 1.00 0.66 H new ATOM 0 HD3 LYS A 12 -13.041 -7.280 -7.164 1.00 0.66 H new ATOM 0 HE2 LYS A 12 -10.906 -8.138 -6.803 1.00 0.83 H new ATOM 0 HE3 LYS A 12 -11.277 -7.472 -5.226 1.00 0.83 H new ATOM 0 HZ1 LYS A 12 -10.367 -9.695 -5.046 1.00 1.47 H new ATOM 0 HZ2 LYS A 12 -11.971 -9.678 -4.487 1.00 1.47 H new ATOM 0 HZ3 LYS A 12 -11.611 -10.324 -6.016 1.00 1.47 H new ATOM 208 N LEU A 13 -14.916 -3.684 -3.189 1.00 0.48 N ATOM 209 CA LEU A 13 -14.712 -2.962 -1.944 1.00 0.48 C ATOM 210 C LEU A 13 -15.947 -3.051 -1.058 1.00 0.51 C ATOM 211 O LEU A 13 -15.848 -2.957 0.160 1.00 0.50 O ATOM 212 CB LEU A 13 -14.359 -1.499 -2.218 1.00 0.60 C ATOM 213 CG LEU A 13 -13.237 -1.280 -3.238 1.00 0.61 C ATOM 214 CD1 LEU A 13 -12.735 0.155 -3.185 1.00 0.93 C ATOM 215 CD2 LEU A 13 -12.100 -2.254 -3.018 1.00 0.71 C ATOM 0 H LEU A 13 -14.869 -3.099 -4.023 1.00 0.48 H new ATOM 0 HA LEU A 13 -13.878 -3.427 -1.419 1.00 0.48 H new ATOM 0 HB2 LEU A 13 -15.254 -0.986 -2.570 1.00 0.60 H new ATOM 0 HB3 LEU A 13 -14.071 -1.029 -1.278 1.00 0.60 H new ATOM 0 HG LEU A 13 -13.647 -1.464 -4.231 1.00 0.61 H new ATOM 0 HD11 LEU A 13 -11.939 0.289 -3.917 1.00 0.93 H new ATOM 0 HD12 LEU A 13 -13.555 0.836 -3.412 1.00 0.93 H new ATOM 0 HD13 LEU A 13 -12.351 0.370 -2.188 1.00 0.93 H new ATOM 0 HD21 LEU A 13 -11.319 -2.074 -3.757 1.00 0.71 H new ATOM 0 HD22 LEU A 13 -11.691 -2.116 -2.017 1.00 0.71 H new ATOM 0 HD23 LEU A 13 -12.470 -3.274 -3.122 1.00 0.71 H new ATOM 227 N LYS A 14 -17.119 -3.194 -1.673 1.00 0.61 N ATOM 228 CA LYS A 14 -18.360 -3.307 -0.911 1.00 0.72 C ATOM 229 C LYS A 14 -18.224 -4.415 0.131 1.00 0.73 C ATOM 230 O LYS A 14 -18.515 -4.217 1.311 1.00 0.79 O ATOM 231 CB LYS A 14 -19.552 -3.570 -1.848 1.00 0.82 C ATOM 232 CG LYS A 14 -19.770 -5.037 -2.206 1.00 0.86 C ATOM 233 CD LYS A 14 -20.905 -5.202 -3.204 1.00 1.29 C ATOM 234 CE LYS A 14 -20.651 -6.361 -4.155 1.00 1.57 C ATOM 235 NZ LYS A 14 -20.934 -7.676 -3.517 1.00 2.01 N ATOM 0 H LYS A 14 -17.235 -3.234 -2.686 1.00 0.61 H new ATOM 0 HA LYS A 14 -18.549 -2.365 -0.396 1.00 0.72 H new ATOM 0 HB2 LYS A 14 -20.458 -3.186 -1.378 1.00 0.82 H new ATOM 0 HB3 LYS A 14 -19.406 -3.004 -2.768 1.00 0.82 H new ATOM 0 HG2 LYS A 14 -18.853 -5.451 -2.624 1.00 0.86 H new ATOM 0 HG3 LYS A 14 -19.993 -5.604 -1.302 1.00 0.86 H new ATOM 0 HD2 LYS A 14 -21.840 -5.368 -2.668 1.00 1.29 H new ATOM 0 HD3 LYS A 14 -21.024 -4.281 -3.775 1.00 1.29 H new ATOM 0 HE2 LYS A 14 -21.275 -6.246 -5.042 1.00 1.57 H new ATOM 0 HE3 LYS A 14 -19.614 -6.336 -4.489 1.00 1.57 H new ATOM 0 HZ1 LYS A 14 -20.748 -8.440 -4.198 1.00 2.01 H new ATOM 0 HZ2 LYS A 14 -20.321 -7.797 -2.685 1.00 2.01 H new ATOM 0 HZ3 LYS A 14 -21.930 -7.711 -3.221 1.00 2.01 H new ATOM 249 N GLU A 15 -17.745 -5.570 -0.316 1.00 0.72 N ATOM 250 CA GLU A 15 -17.488 -6.693 0.581 1.00 0.79 C ATOM 251 C GLU A 15 -16.160 -6.488 1.309 1.00 0.73 C ATOM 252 O GLU A 15 -15.955 -6.986 2.416 1.00 0.77 O ATOM 253 CB GLU A 15 -17.461 -8.007 -0.202 1.00 0.85 C ATOM 254 CG GLU A 15 -16.469 -8.007 -1.354 1.00 1.40 C ATOM 255 CD GLU A 15 -16.157 -9.402 -1.856 1.00 1.73 C ATOM 256 OE1 GLU A 15 -17.106 -10.128 -2.223 1.00 1.86 O ATOM 257 OE2 GLU A 15 -14.965 -9.772 -1.884 1.00 2.35 O ATOM 0 H GLU A 15 -17.526 -5.755 -1.295 1.00 0.72 H new ATOM 0 HA GLU A 15 -18.292 -6.743 1.316 1.00 0.79 H new ATOM 0 HB2 GLU A 15 -17.214 -8.821 0.479 1.00 0.85 H new ATOM 0 HB3 GLU A 15 -18.459 -8.209 -0.592 1.00 0.85 H new ATOM 0 HG2 GLU A 15 -16.870 -7.411 -2.174 1.00 1.40 H new ATOM 0 HG3 GLU A 15 -15.545 -7.526 -1.033 1.00 1.40 H new ATOM 264 N LEU A 16 -15.272 -5.725 0.675 1.00 0.68 N ATOM 265 CA LEU A 16 -13.960 -5.407 1.228 1.00 0.64 C ATOM 266 C LEU A 16 -14.007 -4.124 2.062 1.00 0.55 C ATOM 267 O LEU A 16 -12.973 -3.491 2.278 1.00 0.51 O ATOM 268 CB LEU A 16 -12.942 -5.253 0.095 1.00 0.68 C ATOM 269 CG LEU A 16 -11.882 -6.352 0.005 1.00 0.99 C ATOM 270 CD1 LEU A 16 -12.502 -7.723 0.239 1.00 1.54 C ATOM 271 CD2 LEU A 16 -11.189 -6.304 -1.348 1.00 1.21 C ATOM 0 H LEU A 16 -15.444 -5.309 -0.240 1.00 0.68 H new ATOM 0 HA LEU A 16 -13.659 -6.226 1.881 1.00 0.64 H new ATOM 0 HB2 LEU A 16 -13.481 -5.215 -0.851 1.00 0.68 H new ATOM 0 HB3 LEU A 16 -12.437 -4.294 0.213 1.00 0.68 H new ATOM 0 HG LEU A 16 -11.140 -6.179 0.784 1.00 0.99 H new ATOM 0 HD11 LEU A 16 -11.729 -8.488 0.170 1.00 1.54 H new ATOM 0 HD12 LEU A 16 -12.955 -7.753 1.230 1.00 1.54 H new ATOM 0 HD13 LEU A 16 -13.266 -7.910 -0.515 1.00 1.54 H new ATOM 0 HD21 LEU A 16 -10.437 -7.091 -1.400 1.00 1.21 H new ATOM 0 HD22 LEU A 16 -11.924 -6.452 -2.139 1.00 1.21 H new ATOM 0 HD23 LEU A 16 -10.709 -5.334 -1.477 1.00 1.21 H new ATOM 283 N SER A 17 -15.224 -3.705 2.447 1.00 0.55 N ATOM 284 CA SER A 17 -15.459 -2.444 3.166 1.00 0.51 C ATOM 285 C SER A 17 -14.260 -1.993 3.993 1.00 0.44 C ATOM 286 O SER A 17 -14.115 -2.358 5.158 1.00 0.47 O ATOM 287 CB SER A 17 -16.678 -2.589 4.079 1.00 0.57 C ATOM 288 OG SER A 17 -17.829 -2.953 3.340 1.00 0.72 O ATOM 0 H SER A 17 -16.076 -4.235 2.267 1.00 0.55 H new ATOM 0 HA SER A 17 -15.633 -1.679 2.409 1.00 0.51 H new ATOM 0 HB2 SER A 17 -16.478 -3.343 4.841 1.00 0.57 H new ATOM 0 HB3 SER A 17 -16.859 -1.649 4.600 1.00 0.57 H new ATOM 0 HG SER A 17 -17.572 -3.169 2.419 1.00 0.72 H new ATOM 294 N VAL A 18 -13.409 -1.185 3.367 1.00 0.41 N ATOM 295 CA VAL A 18 -12.237 -0.642 4.035 1.00 0.39 C ATOM 296 C VAL A 18 -12.644 0.364 5.106 1.00 0.41 C ATOM 297 O VAL A 18 -11.891 0.632 6.041 1.00 0.63 O ATOM 298 CB VAL A 18 -11.276 0.034 3.039 1.00 0.45 C ATOM 299 CG1 VAL A 18 -10.797 -0.962 1.995 1.00 0.52 C ATOM 300 CG2 VAL A 18 -11.946 1.229 2.377 1.00 1.10 C ATOM 0 H VAL A 18 -13.512 -0.893 2.395 1.00 0.41 H new ATOM 0 HA VAL A 18 -11.718 -1.480 4.501 1.00 0.39 H new ATOM 0 HB VAL A 18 -10.407 0.392 3.590 1.00 0.45 H new ATOM 0 HG11 VAL A 18 -10.119 -0.464 1.301 1.00 0.52 H new ATOM 0 HG12 VAL A 18 -10.274 -1.782 2.487 1.00 0.52 H new ATOM 0 HG13 VAL A 18 -11.653 -1.355 1.447 1.00 0.52 H new ATOM 0 HG21 VAL A 18 -11.252 1.694 1.677 1.00 1.10 H new ATOM 0 HG22 VAL A 18 -12.835 0.897 1.840 1.00 1.10 H new ATOM 0 HG23 VAL A 18 -12.232 1.954 3.139 1.00 1.10 H new ATOM 310 N GLU A 19 -13.847 0.910 4.963 1.00 0.44 N ATOM 311 CA GLU A 19 -14.382 1.868 5.921 1.00 0.47 C ATOM 312 C GLU A 19 -14.202 1.368 7.348 1.00 0.44 C ATOM 313 O GLU A 19 -13.959 2.148 8.269 1.00 0.53 O ATOM 314 CB GLU A 19 -15.867 2.086 5.642 1.00 0.51 C ATOM 315 CG GLU A 19 -16.618 0.791 5.364 1.00 0.50 C ATOM 316 CD GLU A 19 -17.273 0.777 3.997 1.00 0.81 C ATOM 317 OE1 GLU A 19 -16.614 0.345 3.027 1.00 1.36 O ATOM 318 OE2 GLU A 19 -18.445 1.197 3.896 1.00 1.39 O ATOM 0 H GLU A 19 -14.474 0.702 4.186 1.00 0.44 H new ATOM 0 HA GLU A 19 -13.839 2.807 5.813 1.00 0.47 H new ATOM 0 HB2 GLU A 19 -16.322 2.587 6.497 1.00 0.51 H new ATOM 0 HB3 GLU A 19 -15.976 2.753 4.787 1.00 0.51 H new ATOM 0 HG2 GLU A 19 -15.927 -0.049 5.440 1.00 0.50 H new ATOM 0 HG3 GLU A 19 -17.381 0.646 6.129 1.00 0.50 H new ATOM 325 N LYS A 20 -14.334 0.059 7.518 1.00 0.38 N ATOM 326 CA LYS A 20 -14.196 -0.565 8.829 1.00 0.38 C ATOM 327 C LYS A 20 -12.727 -0.666 9.236 1.00 0.34 C ATOM 328 O LYS A 20 -12.410 -0.804 10.418 1.00 0.39 O ATOM 329 CB LYS A 20 -14.834 -1.962 8.834 1.00 0.42 C ATOM 330 CG LYS A 20 -15.950 -2.141 7.812 1.00 0.51 C ATOM 331 CD LYS A 20 -16.755 -3.403 8.073 1.00 0.54 C ATOM 332 CE LYS A 20 -15.871 -4.640 8.058 1.00 1.69 C ATOM 333 NZ LYS A 20 -15.311 -4.940 9.405 1.00 2.00 N ATOM 0 H LYS A 20 -14.537 -0.594 6.761 1.00 0.38 H new ATOM 0 HA LYS A 20 -14.715 0.065 9.552 1.00 0.38 H new ATOM 0 HB2 LYS A 20 -14.059 -2.704 8.643 1.00 0.42 H new ATOM 0 HB3 LYS A 20 -15.231 -2.165 9.829 1.00 0.42 H new ATOM 0 HG2 LYS A 20 -16.612 -1.275 7.840 1.00 0.51 H new ATOM 0 HG3 LYS A 20 -15.523 -2.183 6.810 1.00 0.51 H new ATOM 0 HD2 LYS A 20 -17.255 -3.324 9.038 1.00 0.54 H new ATOM 0 HD3 LYS A 20 -17.534 -3.502 7.317 1.00 0.54 H new ATOM 0 HE2 LYS A 20 -16.449 -5.495 7.707 1.00 1.69 H new ATOM 0 HE3 LYS A 20 -15.055 -4.494 7.350 1.00 1.69 H new ATOM 0 HZ1 LYS A 20 -14.274 -4.865 9.374 1.00 2.00 H new ATOM 0 HZ2 LYS A 20 -15.687 -4.260 10.096 1.00 2.00 H new ATOM 0 HZ3 LYS A 20 -15.581 -5.904 9.686 1.00 2.00 H new ATOM 347 N TRP A 21 -11.834 -0.590 8.252 1.00 0.31 N ATOM 348 CA TRP A 21 -10.403 -0.686 8.510 1.00 0.32 C ATOM 349 C TRP A 21 -9.834 0.683 8.881 1.00 0.31 C ATOM 350 O TRP A 21 -10.348 1.713 8.443 1.00 0.39 O ATOM 351 CB TRP A 21 -9.663 -1.232 7.282 1.00 0.35 C ATOM 352 CG TRP A 21 -10.382 -2.335 6.552 1.00 0.33 C ATOM 353 CD1 TRP A 21 -11.516 -2.992 6.944 1.00 0.34 C ATOM 354 CD2 TRP A 21 -10.001 -2.913 5.296 1.00 0.35 C ATOM 355 NE1 TRP A 21 -11.869 -3.927 6.004 1.00 0.36 N ATOM 356 CE2 TRP A 21 -10.959 -3.896 4.980 1.00 0.37 C ATOM 357 CE3 TRP A 21 -8.962 -2.673 4.391 1.00 0.39 C ATOM 358 CZ2 TRP A 21 -10.893 -4.653 3.812 1.00 0.43 C ATOM 359 CZ3 TRP A 21 -8.897 -3.425 3.232 1.00 0.44 C ATOM 360 CH2 TRP A 21 -9.857 -4.404 2.952 1.00 0.46 C ATOM 0 H TRP A 21 -12.078 -0.462 7.270 1.00 0.31 H new ATOM 0 HA TRP A 21 -10.259 -1.373 9.344 1.00 0.32 H new ATOM 0 HB2 TRP A 21 -9.485 -0.411 6.587 1.00 0.35 H new ATOM 0 HB3 TRP A 21 -8.687 -1.600 7.597 1.00 0.35 H new ATOM 0 HD1 TRP A 21 -12.055 -2.802 7.860 1.00 0.34 H new ATOM 0 HE1 TRP A 21 -12.678 -4.545 6.059 1.00 0.36 H new ATOM 0 HE3 TRP A 21 -8.222 -1.913 4.594 1.00 0.39 H new ATOM 0 HZ2 TRP A 21 -11.632 -5.409 3.593 1.00 0.43 H new ATOM 0 HZ3 TRP A 21 -8.093 -3.254 2.532 1.00 0.44 H new ATOM 0 HH2 TRP A 21 -9.779 -4.975 2.039 1.00 0.46 H new ATOM 371 N PRO A 22 -8.760 0.713 9.686 1.00 0.34 N ATOM 372 CA PRO A 22 -8.121 1.966 10.100 1.00 0.39 C ATOM 373 C PRO A 22 -7.666 2.801 8.908 1.00 0.34 C ATOM 374 O PRO A 22 -7.472 2.278 7.810 1.00 0.48 O ATOM 375 CB PRO A 22 -6.906 1.514 10.922 1.00 0.51 C ATOM 376 CG PRO A 22 -6.719 0.071 10.595 1.00 0.42 C ATOM 377 CD PRO A 22 -8.079 -0.462 10.250 1.00 0.45 C ATOM 0 HA PRO A 22 -8.811 2.600 10.657 1.00 0.39 H new ATOM 0 HB2 PRO A 22 -6.020 2.093 10.663 1.00 0.51 H new ATOM 0 HB3 PRO A 22 -7.079 1.656 11.989 1.00 0.51 H new ATOM 0 HG2 PRO A 22 -6.030 -0.052 9.760 1.00 0.42 H new ATOM 0 HG3 PRO A 22 -6.293 -0.468 11.442 1.00 0.42 H new ATOM 0 HD2 PRO A 22 -8.022 -1.279 9.531 1.00 0.45 H new ATOM 0 HD3 PRO A 22 -8.597 -0.846 11.129 1.00 0.45 H new ATOM 385 N ILE A 23 -7.490 4.098 9.134 1.00 0.38 N ATOM 386 CA ILE A 23 -7.042 5.002 8.084 1.00 0.36 C ATOM 387 C ILE A 23 -5.665 5.569 8.407 1.00 0.31 C ATOM 388 O ILE A 23 -5.320 5.756 9.575 1.00 0.32 O ATOM 389 CB ILE A 23 -8.031 6.164 7.879 1.00 0.47 C ATOM 390 CG1 ILE A 23 -9.468 5.640 7.851 1.00 1.15 C ATOM 391 CG2 ILE A 23 -7.711 6.913 6.594 1.00 0.97 C ATOM 392 CD1 ILE A 23 -9.784 4.808 6.629 1.00 1.60 C ATOM 0 H ILE A 23 -7.651 4.546 10.036 1.00 0.38 H new ATOM 0 HA ILE A 23 -6.989 4.420 7.164 1.00 0.36 H new ATOM 0 HB ILE A 23 -7.932 6.857 8.715 1.00 0.47 H new ATOM 0 HG12 ILE A 23 -9.645 5.041 8.744 1.00 1.15 H new ATOM 0 HG13 ILE A 23 -10.155 6.485 7.893 1.00 1.15 H new ATOM 0 HG21 ILE A 23 -8.419 7.731 6.464 1.00 0.97 H new ATOM 0 HG22 ILE A 23 -6.699 7.314 6.649 1.00 0.97 H new ATOM 0 HG23 ILE A 23 -7.785 6.231 5.747 1.00 0.97 H new ATOM 0 HD11 ILE A 23 -10.819 4.470 6.676 1.00 1.60 H new ATOM 0 HD12 ILE A 23 -9.639 5.410 5.732 1.00 1.60 H new ATOM 0 HD13 ILE A 23 -9.121 3.943 6.596 1.00 1.60 H new ATOM 404 N TRP A 24 -4.874 5.828 7.372 1.00 0.31 N ATOM 405 CA TRP A 24 -3.528 6.354 7.560 1.00 0.31 C ATOM 406 C TRP A 24 -3.309 7.631 6.761 1.00 0.31 C ATOM 407 O TRP A 24 -3.880 7.811 5.688 1.00 0.44 O ATOM 408 CB TRP A 24 -2.492 5.309 7.148 1.00 0.38 C ATOM 409 CG TRP A 24 -1.175 5.481 7.841 1.00 0.38 C ATOM 410 CD1 TRP A 24 -0.975 5.746 9.165 1.00 0.47 C ATOM 411 CD2 TRP A 24 0.126 5.406 7.246 1.00 0.44 C ATOM 412 NE1 TRP A 24 0.370 5.837 9.430 1.00 0.55 N ATOM 413 CE2 TRP A 24 1.067 5.633 8.268 1.00 0.51 C ATOM 414 CE3 TRP A 24 0.586 5.167 5.947 1.00 0.55 C ATOM 415 CZ2 TRP A 24 2.439 5.628 8.031 1.00 0.61 C ATOM 416 CZ3 TRP A 24 1.949 5.165 5.715 1.00 0.66 C ATOM 417 CH2 TRP A 24 2.861 5.394 6.752 1.00 0.66 C ATOM 0 H TRP A 24 -5.140 5.683 6.398 1.00 0.31 H new ATOM 0 HA TRP A 24 -3.411 6.590 8.618 1.00 0.31 H new ATOM 0 HB2 TRP A 24 -2.882 4.314 7.364 1.00 0.38 H new ATOM 0 HB3 TRP A 24 -2.338 5.364 6.070 1.00 0.38 H new ATOM 0 HD1 TRP A 24 -1.760 5.867 9.897 1.00 0.47 H new ATOM 0 HE1 TRP A 24 0.783 6.026 10.343 1.00 0.55 H new ATOM 0 HE3 TRP A 24 -0.110 4.988 5.141 1.00 0.55 H new ATOM 0 HZ2 TRP A 24 3.145 5.803 8.829 1.00 0.61 H new ATOM 0 HZ3 TRP A 24 2.317 4.984 4.716 1.00 0.66 H new ATOM 0 HH2 TRP A 24 3.919 5.386 6.537 1.00 0.66 H new ATOM 428 N GLU A 25 -2.458 8.503 7.287 1.00 0.34 N ATOM 429 CA GLU A 25 -2.123 9.753 6.618 1.00 0.36 C ATOM 430 C GLU A 25 -0.610 9.929 6.562 1.00 0.37 C ATOM 431 O GLU A 25 0.075 9.802 7.578 1.00 0.42 O ATOM 432 CB GLU A 25 -2.762 10.938 7.348 1.00 0.39 C ATOM 433 CG GLU A 25 -4.281 10.946 7.283 1.00 0.98 C ATOM 434 CD GLU A 25 -4.924 10.809 8.648 1.00 1.52 C ATOM 435 OE1 GLU A 25 -4.461 11.481 9.593 1.00 1.91 O ATOM 436 OE2 GLU A 25 -5.891 10.027 8.772 1.00 2.05 O ATOM 0 H GLU A 25 -1.985 8.366 8.180 1.00 0.34 H new ATOM 0 HA GLU A 25 -2.514 9.718 5.601 1.00 0.36 H new ATOM 0 HB2 GLU A 25 -2.452 10.921 8.393 1.00 0.39 H new ATOM 0 HB3 GLU A 25 -2.383 11.866 6.918 1.00 0.39 H new ATOM 0 HG2 GLU A 25 -4.616 11.874 6.819 1.00 0.98 H new ATOM 0 HG3 GLU A 25 -4.618 10.130 6.643 1.00 0.98 H new ATOM 443 N LYS A 26 -0.090 10.207 5.373 1.00 0.39 N ATOM 444 CA LYS A 26 1.347 10.369 5.198 1.00 0.44 C ATOM 445 C LYS A 26 1.671 11.539 4.277 1.00 0.40 C ATOM 446 O LYS A 26 0.965 11.796 3.301 1.00 0.44 O ATOM 447 CB LYS A 26 1.961 9.083 4.641 1.00 0.51 C ATOM 448 CG LYS A 26 3.463 9.169 4.416 1.00 0.58 C ATOM 449 CD LYS A 26 4.222 9.228 5.731 1.00 1.19 C ATOM 450 CE LYS A 26 5.715 9.406 5.505 1.00 1.62 C ATOM 451 NZ LYS A 26 6.298 10.429 6.418 1.00 2.39 N ATOM 0 H LYS A 26 -0.638 10.324 4.521 1.00 0.39 H new ATOM 0 HA LYS A 26 1.777 10.581 6.177 1.00 0.44 H new ATOM 0 HB2 LYS A 26 1.752 8.264 5.329 1.00 0.51 H new ATOM 0 HB3 LYS A 26 1.475 8.838 3.697 1.00 0.51 H new ATOM 0 HG2 LYS A 26 3.796 8.305 3.841 1.00 0.58 H new ATOM 0 HG3 LYS A 26 3.693 10.054 3.822 1.00 0.58 H new ATOM 0 HD2 LYS A 26 3.843 10.053 6.334 1.00 1.19 H new ATOM 0 HD3 LYS A 26 4.045 8.313 6.296 1.00 1.19 H new ATOM 0 HE2 LYS A 26 6.221 8.453 5.658 1.00 1.62 H new ATOM 0 HE3 LYS A 26 5.893 9.699 4.470 1.00 1.62 H new ATOM 0 HZ1 LYS A 26 7.107 10.889 5.953 1.00 2.39 H new ATOM 0 HZ2 LYS A 26 5.577 11.144 6.644 1.00 2.39 H new ATOM 0 HZ3 LYS A 26 6.618 9.970 7.295 1.00 2.39 H new ATOM 465 N GLU A 27 2.756 12.236 4.595 1.00 0.49 N ATOM 466 CA GLU A 27 3.210 13.370 3.803 1.00 0.49 C ATOM 467 C GLU A 27 4.166 12.915 2.719 1.00 0.44 C ATOM 468 O GLU A 27 4.726 11.821 2.789 1.00 0.77 O ATOM 469 CB GLU A 27 3.886 14.411 4.697 1.00 0.72 C ATOM 470 CG GLU A 27 5.179 13.920 5.327 1.00 1.25 C ATOM 471 CD GLU A 27 5.941 15.024 6.032 1.00 1.93 C ATOM 472 OE1 GLU A 27 5.290 15.935 6.587 1.00 2.64 O ATOM 473 OE2 GLU A 27 7.189 14.980 6.028 1.00 2.20 O ATOM 0 H GLU A 27 3.342 12.032 5.405 1.00 0.49 H new ATOM 0 HA GLU A 27 2.340 13.826 3.331 1.00 0.49 H new ATOM 0 HB2 GLU A 27 4.094 15.304 4.108 1.00 0.72 H new ATOM 0 HB3 GLU A 27 3.194 14.704 5.487 1.00 0.72 H new ATOM 0 HG2 GLU A 27 4.953 13.127 6.040 1.00 1.25 H new ATOM 0 HG3 GLU A 27 5.812 13.483 4.555 1.00 1.25 H new ATOM 480 N VAL A 28 4.312 13.744 1.696 1.00 0.34 N ATOM 481 CA VAL A 28 5.149 13.427 0.541 1.00 0.26 C ATOM 482 C VAL A 28 6.648 13.263 0.872 1.00 0.28 C ATOM 483 O VAL A 28 7.496 13.834 0.185 1.00 0.43 O ATOM 484 CB VAL A 28 4.993 14.526 -0.529 1.00 0.29 C ATOM 485 CG1 VAL A 28 3.526 14.810 -0.784 1.00 0.37 C ATOM 486 CG2 VAL A 28 5.717 15.805 -0.122 1.00 1.00 C ATOM 0 H VAL A 28 3.856 14.655 1.640 1.00 0.34 H new ATOM 0 HA VAL A 28 4.801 12.461 0.176 1.00 0.26 H new ATOM 0 HB VAL A 28 5.448 14.162 -1.450 1.00 0.29 H new ATOM 0 HG11 VAL A 28 3.432 15.588 -1.542 1.00 0.37 H new ATOM 0 HG12 VAL A 28 3.035 13.902 -1.134 1.00 0.37 H new ATOM 0 HG13 VAL A 28 3.054 15.145 0.140 1.00 0.37 H new ATOM 0 HG21 VAL A 28 5.587 16.559 -0.898 1.00 1.00 H new ATOM 0 HG22 VAL A 28 5.303 16.175 0.816 1.00 1.00 H new ATOM 0 HG23 VAL A 28 6.779 15.597 0.007 1.00 1.00 H new ATOM 496 N SER A 29 6.979 12.522 1.930 1.00 0.29 N ATOM 497 CA SER A 29 8.372 12.275 2.283 1.00 0.40 C ATOM 498 C SER A 29 8.862 10.967 1.666 1.00 0.35 C ATOM 499 O SER A 29 8.236 10.426 0.754 1.00 0.35 O ATOM 500 CB SER A 29 8.534 12.229 3.804 1.00 0.56 C ATOM 501 OG SER A 29 8.164 10.962 4.320 1.00 1.09 O ATOM 0 H SER A 29 6.301 12.085 2.554 1.00 0.29 H new ATOM 0 HA SER A 29 8.974 13.092 1.887 1.00 0.40 H new ATOM 0 HB2 SER A 29 9.569 12.444 4.069 1.00 0.56 H new ATOM 0 HB3 SER A 29 7.920 13.005 4.262 1.00 0.56 H new ATOM 0 HG SER A 29 8.873 10.629 4.909 1.00 1.09 H new ATOM 507 N GLU A 30 9.960 10.442 2.203 1.00 0.42 N ATOM 508 CA GLU A 30 10.497 9.163 1.751 1.00 0.41 C ATOM 509 C GLU A 30 11.141 8.422 2.918 1.00 0.50 C ATOM 510 O GLU A 30 12.009 8.962 3.605 1.00 0.70 O ATOM 511 CB GLU A 30 11.521 9.379 0.634 1.00 0.61 C ATOM 512 CG GLU A 30 11.012 10.261 -0.494 1.00 0.76 C ATOM 513 CD GLU A 30 11.307 11.730 -0.265 1.00 1.14 C ATOM 514 OE1 GLU A 30 12.393 12.041 0.269 1.00 1.70 O ATOM 515 OE2 GLU A 30 10.453 12.570 -0.618 1.00 1.60 O ATOM 0 H GLU A 30 10.495 10.883 2.951 1.00 0.42 H new ATOM 0 HA GLU A 30 9.677 8.560 1.360 1.00 0.41 H new ATOM 0 HB2 GLU A 30 12.420 9.827 1.058 1.00 0.61 H new ATOM 0 HB3 GLU A 30 11.810 8.411 0.225 1.00 0.61 H new ATOM 0 HG2 GLU A 30 11.469 9.945 -1.432 1.00 0.76 H new ATOM 0 HG3 GLU A 30 9.936 10.123 -0.601 1.00 0.76 H new ATOM 522 N PHE A 31 10.703 7.188 3.147 1.00 0.46 N ATOM 523 CA PHE A 31 11.220 6.386 4.252 1.00 0.63 C ATOM 524 C PHE A 31 11.736 5.030 3.782 1.00 0.58 C ATOM 525 O PHE A 31 11.212 4.446 2.832 1.00 0.48 O ATOM 526 CB PHE A 31 10.134 6.185 5.310 1.00 0.83 C ATOM 527 CG PHE A 31 8.799 5.805 4.738 1.00 0.84 C ATOM 528 CD1 PHE A 31 8.026 6.740 4.067 1.00 0.79 C ATOM 529 CD2 PHE A 31 8.317 4.513 4.871 1.00 1.70 C ATOM 530 CE1 PHE A 31 6.797 6.392 3.539 1.00 1.49 C ATOM 531 CE2 PHE A 31 7.089 4.159 4.346 1.00 2.52 C ATOM 532 CZ PHE A 31 6.326 5.103 3.681 1.00 2.40 C ATOM 0 H PHE A 31 9.992 6.722 2.583 1.00 0.46 H new ATOM 0 HA PHE A 31 12.059 6.931 4.684 1.00 0.63 H new ATOM 0 HB2 PHE A 31 10.456 5.410 6.006 1.00 0.83 H new ATOM 0 HB3 PHE A 31 10.025 7.104 5.885 1.00 0.83 H new ATOM 0 HD1 PHE A 31 8.388 7.751 3.956 1.00 0.79 H new ATOM 0 HD2 PHE A 31 8.908 3.774 5.391 1.00 1.70 H new ATOM 0 HE1 PHE A 31 6.206 7.129 3.016 1.00 1.49 H new ATOM 0 HE2 PHE A 31 6.725 3.148 4.454 1.00 2.52 H new ATOM 0 HZ PHE A 31 5.363 4.831 3.274 1.00 2.40 H new ATOM 542 N ASP A 32 12.745 4.521 4.480 1.00 0.73 N ATOM 543 CA ASP A 32 13.295 3.201 4.192 1.00 0.74 C ATOM 544 C ASP A 32 12.824 2.211 5.253 1.00 0.90 C ATOM 545 O ASP A 32 13.404 2.126 6.335 1.00 1.42 O ATOM 546 CB ASP A 32 14.824 3.254 4.160 1.00 1.06 C ATOM 547 CG ASP A 32 15.393 4.155 5.238 1.00 2.02 C ATOM 548 OD1 ASP A 32 15.547 5.367 4.979 1.00 2.89 O ATOM 549 OD2 ASP A 32 15.685 3.650 6.344 1.00 2.36 O ATOM 0 H ASP A 32 13.201 5.005 5.253 1.00 0.73 H new ATOM 0 HA ASP A 32 12.943 2.875 3.213 1.00 0.74 H new ATOM 0 HB2 ASP A 32 15.223 2.247 4.284 1.00 1.06 H new ATOM 0 HB3 ASP A 32 15.152 3.609 3.183 1.00 1.06 H new ATOM 554 N TRP A 33 11.738 1.502 4.959 1.00 0.63 N ATOM 555 CA TRP A 33 11.139 0.593 5.930 1.00 0.93 C ATOM 556 C TRP A 33 11.202 -0.866 5.478 1.00 0.61 C ATOM 557 O TRP A 33 11.217 -1.168 4.285 1.00 0.45 O ATOM 558 CB TRP A 33 9.685 1.024 6.191 1.00 1.36 C ATOM 559 CG TRP A 33 8.826 -0.018 6.844 1.00 1.58 C ATOM 560 CD1 TRP A 33 8.817 -0.377 8.161 1.00 2.21 C ATOM 561 CD2 TRP A 33 7.835 -0.826 6.202 1.00 1.38 C ATOM 562 NE1 TRP A 33 7.885 -1.365 8.374 1.00 2.32 N ATOM 563 CE2 TRP A 33 7.269 -1.656 7.185 1.00 1.76 C ATOM 564 CE3 TRP A 33 7.378 -0.926 4.886 1.00 1.34 C ATOM 565 CZ2 TRP A 33 6.264 -2.574 6.892 1.00 1.72 C ATOM 566 CZ3 TRP A 33 6.383 -1.839 4.596 1.00 1.52 C ATOM 567 CH2 TRP A 33 5.837 -2.654 5.594 1.00 1.51 C ATOM 0 H TRP A 33 11.257 1.539 4.060 1.00 0.63 H new ATOM 0 HA TRP A 33 11.714 0.653 6.854 1.00 0.93 H new ATOM 0 HB2 TRP A 33 9.692 1.914 6.820 1.00 1.36 H new ATOM 0 HB3 TRP A 33 9.229 1.308 5.242 1.00 1.36 H new ATOM 0 HD1 TRP A 33 9.449 0.052 8.924 1.00 2.21 H new ATOM 0 HE1 TRP A 33 7.685 -1.809 9.270 1.00 2.32 H new ATOM 0 HE3 TRP A 33 7.795 -0.301 4.110 1.00 1.34 H new ATOM 0 HZ2 TRP A 33 5.837 -3.200 7.661 1.00 1.72 H new ATOM 0 HZ3 TRP A 33 6.020 -1.925 3.582 1.00 1.52 H new ATOM 0 HH2 TRP A 33 5.063 -3.361 5.335 1.00 1.51 H new ATOM 578 N TYR A 34 11.219 -1.762 6.465 1.00 0.69 N ATOM 579 CA TYR A 34 11.241 -3.200 6.220 1.00 0.52 C ATOM 580 C TYR A 34 9.931 -3.822 6.704 1.00 0.54 C ATOM 581 O TYR A 34 9.384 -3.411 7.728 1.00 0.68 O ATOM 582 CB TYR A 34 12.444 -3.835 6.939 1.00 0.70 C ATOM 583 CG TYR A 34 12.352 -5.336 7.117 1.00 0.67 C ATOM 584 CD1 TYR A 34 12.631 -6.200 6.066 1.00 0.86 C ATOM 585 CD2 TYR A 34 11.995 -5.888 8.341 1.00 0.78 C ATOM 586 CE1 TYR A 34 12.552 -7.570 6.227 1.00 0.98 C ATOM 587 CE2 TYR A 34 11.914 -7.257 8.510 1.00 0.87 C ATOM 588 CZ TYR A 34 12.192 -8.094 7.450 1.00 0.88 C ATOM 589 OH TYR A 34 12.111 -9.457 7.614 1.00 1.07 O ATOM 0 H TYR A 34 11.218 -1.510 7.453 1.00 0.69 H new ATOM 0 HA TYR A 34 11.342 -3.387 5.151 1.00 0.52 H new ATOM 0 HB2 TYR A 34 13.349 -3.604 6.378 1.00 0.70 H new ATOM 0 HB3 TYR A 34 12.550 -3.372 7.920 1.00 0.70 H new ATOM 0 HD1 TYR A 34 12.915 -5.794 5.106 1.00 0.86 H new ATOM 0 HD2 TYR A 34 11.777 -5.236 9.174 1.00 0.78 H new ATOM 0 HE1 TYR A 34 12.771 -8.227 5.398 1.00 0.98 H new ATOM 0 HE2 TYR A 34 11.634 -7.670 9.468 1.00 0.87 H new ATOM 0 HH TYR A 34 11.846 -9.660 8.535 1.00 1.07 H new ATOM 599 N TYR A 35 9.423 -4.801 5.963 1.00 0.46 N ATOM 600 CA TYR A 35 8.159 -5.437 6.315 1.00 0.52 C ATOM 601 C TYR A 35 8.299 -6.352 7.527 1.00 0.55 C ATOM 602 O TYR A 35 9.385 -6.511 8.082 1.00 0.73 O ATOM 603 CB TYR A 35 7.620 -6.236 5.131 1.00 0.51 C ATOM 604 CG TYR A 35 6.360 -5.663 4.542 1.00 0.79 C ATOM 605 CD1 TYR A 35 6.425 -4.691 3.558 1.00 1.33 C ATOM 606 CD2 TYR A 35 5.110 -6.092 4.965 1.00 1.06 C ATOM 607 CE1 TYR A 35 5.281 -4.159 3.008 1.00 1.67 C ATOM 608 CE2 TYR A 35 3.956 -5.562 4.421 1.00 1.31 C ATOM 609 CZ TYR A 35 4.025 -4.612 3.473 1.00 1.50 C ATOM 610 OH TYR A 35 2.900 -4.069 2.894 1.00 1.87 O ATOM 0 H TYR A 35 9.864 -5.169 5.120 1.00 0.46 H new ATOM 0 HA TYR A 35 7.459 -4.642 6.572 1.00 0.52 H new ATOM 0 HB2 TYR A 35 8.385 -6.282 4.356 1.00 0.51 H new ATOM 0 HB3 TYR A 35 7.428 -7.260 5.451 1.00 0.51 H new ATOM 0 HD1 TYR A 35 7.389 -4.345 3.216 1.00 1.33 H new ATOM 0 HD2 TYR A 35 5.038 -6.851 5.730 1.00 1.06 H new ATOM 0 HE1 TYR A 35 5.342 -3.408 2.234 1.00 1.67 H new ATOM 0 HE2 TYR A 35 2.993 -5.913 4.760 1.00 1.31 H new ATOM 0 HH TYR A 35 2.935 -4.202 1.924 1.00 1.87 H new ATOM 620 N ASP A 36 7.183 -6.963 7.917 1.00 0.56 N ATOM 621 CA ASP A 36 7.159 -7.875 9.053 1.00 0.68 C ATOM 622 C ASP A 36 5.778 -8.508 9.217 1.00 0.67 C ATOM 623 O ASP A 36 5.339 -8.782 10.335 1.00 0.88 O ATOM 624 CB ASP A 36 7.548 -7.136 10.335 1.00 0.85 C ATOM 625 CG ASP A 36 8.053 -8.074 11.414 1.00 1.30 C ATOM 626 OD1 ASP A 36 8.464 -9.204 11.073 1.00 2.12 O ATOM 627 OD2 ASP A 36 8.040 -7.679 12.599 1.00 1.59 O ATOM 0 H ASP A 36 6.280 -6.841 7.459 1.00 0.56 H new ATOM 0 HA ASP A 36 7.882 -8.668 8.864 1.00 0.68 H new ATOM 0 HB2 ASP A 36 8.319 -6.400 10.107 1.00 0.85 H new ATOM 0 HB3 ASP A 36 6.685 -6.587 10.710 1.00 0.85 H new ATOM 632 N THR A 37 5.090 -8.732 8.096 1.00 0.64 N ATOM 633 CA THR A 37 3.757 -9.337 8.111 1.00 0.64 C ATOM 634 C THR A 37 3.069 -9.175 6.759 1.00 0.66 C ATOM 635 O THR A 37 3.413 -8.286 5.979 1.00 0.92 O ATOM 636 CB THR A 37 2.883 -8.706 9.202 1.00 0.72 C ATOM 637 OG1 THR A 37 1.508 -8.873 8.902 1.00 1.70 O ATOM 638 CG2 THR A 37 3.135 -7.226 9.394 1.00 1.49 C ATOM 0 H THR A 37 5.435 -8.503 7.164 1.00 0.64 H new ATOM 0 HA THR A 37 3.883 -10.399 8.322 1.00 0.64 H new ATOM 0 HB THR A 37 3.153 -9.224 10.122 1.00 0.72 H new ATOM 0 HG1 THR A 37 1.102 -9.482 9.554 1.00 1.70 H new ATOM 0 HG21 THR A 37 2.483 -6.845 10.180 1.00 1.49 H new ATOM 0 HG22 THR A 37 4.176 -7.068 9.677 1.00 1.49 H new ATOM 0 HG23 THR A 37 2.928 -6.698 8.463 1.00 1.49 H new ATOM 646 N ASN A 38 2.079 -10.023 6.500 1.00 0.52 N ATOM 647 CA ASN A 38 1.312 -9.946 5.262 1.00 0.56 C ATOM 648 C ASN A 38 0.337 -8.775 5.325 1.00 0.65 C ATOM 649 O ASN A 38 -0.643 -8.814 6.068 1.00 0.82 O ATOM 650 CB ASN A 38 0.550 -11.251 5.025 1.00 0.59 C ATOM 651 CG ASN A 38 1.454 -12.367 4.536 1.00 1.06 C ATOM 652 OD1 ASN A 38 1.488 -13.453 5.115 1.00 2.08 O ATOM 653 ND2 ASN A 38 2.192 -12.102 3.465 1.00 1.04 N ATOM 0 H ASN A 38 1.789 -10.771 7.130 1.00 0.52 H new ATOM 0 HA ASN A 38 2.002 -9.790 4.433 1.00 0.56 H new ATOM 0 HB2 ASN A 38 0.065 -11.559 5.951 1.00 0.59 H new ATOM 0 HB3 ASN A 38 -0.240 -11.080 4.294 1.00 0.59 H new ATOM 0 HD21 ASN A 38 2.820 -12.813 3.090 1.00 1.04 H new ATOM 0 HD22 ASN A 38 2.131 -11.187 3.017 1.00 1.04 H new ATOM 660 N GLU A 39 0.623 -7.722 4.565 1.00 0.59 N ATOM 661 CA GLU A 39 -0.211 -6.524 4.590 1.00 0.69 C ATOM 662 C GLU A 39 -0.983 -6.324 3.292 1.00 0.54 C ATOM 663 O GLU A 39 -0.496 -6.625 2.202 1.00 0.60 O ATOM 664 CB GLU A 39 0.648 -5.288 4.856 1.00 0.94 C ATOM 665 CG GLU A 39 -0.143 -3.988 4.868 1.00 0.81 C ATOM 666 CD GLU A 39 0.410 -2.977 5.852 1.00 1.14 C ATOM 667 OE1 GLU A 39 1.307 -3.344 6.639 1.00 1.36 O ATOM 668 OE2 GLU A 39 -0.052 -1.816 5.833 1.00 1.45 O ATOM 0 H GLU A 39 1.419 -7.673 3.929 1.00 0.59 H new ATOM 0 HA GLU A 39 -0.935 -6.662 5.393 1.00 0.69 H new ATOM 0 HB2 GLU A 39 1.152 -5.406 5.815 1.00 0.94 H new ATOM 0 HB3 GLU A 39 1.424 -5.224 4.094 1.00 0.94 H new ATOM 0 HG2 GLU A 39 -0.139 -3.555 3.868 1.00 0.81 H new ATOM 0 HG3 GLU A 39 -1.182 -4.202 5.118 1.00 0.81 H new ATOM 675 N THR A 40 -2.178 -5.768 3.433 1.00 0.43 N ATOM 676 CA THR A 40 -3.029 -5.432 2.298 1.00 0.35 C ATOM 677 C THR A 40 -3.685 -4.080 2.563 1.00 0.36 C ATOM 678 O THR A 40 -4.408 -3.916 3.547 1.00 0.41 O ATOM 679 CB THR A 40 -4.082 -6.525 2.072 1.00 0.31 C ATOM 680 OG1 THR A 40 -3.487 -7.674 1.494 1.00 0.40 O ATOM 681 CG2 THR A 40 -5.224 -6.100 1.173 1.00 0.40 C ATOM 0 H THR A 40 -2.586 -5.536 4.339 1.00 0.43 H new ATOM 0 HA THR A 40 -2.429 -5.368 1.390 1.00 0.35 H new ATOM 0 HB THR A 40 -4.489 -6.736 3.061 1.00 0.31 H new ATOM 0 HG1 THR A 40 -4.171 -8.363 1.357 1.00 0.40 H new ATOM 0 HG21 THR A 40 -5.926 -6.926 1.062 1.00 0.40 H new ATOM 0 HG22 THR A 40 -5.736 -5.245 1.615 1.00 0.40 H new ATOM 0 HG23 THR A 40 -4.833 -5.822 0.194 1.00 0.40 H new ATOM 689 N CYS A 41 -3.368 -3.091 1.734 1.00 0.34 N ATOM 690 CA CYS A 41 -3.878 -1.743 1.936 1.00 0.33 C ATOM 691 C CYS A 41 -4.563 -1.206 0.686 1.00 0.30 C ATOM 692 O CYS A 41 -4.305 -1.661 -0.427 1.00 0.31 O ATOM 693 CB CYS A 41 -2.739 -0.805 2.341 1.00 0.36 C ATOM 694 SG CYS A 41 -1.183 -1.116 1.475 1.00 0.63 S ATOM 0 H CYS A 41 -2.763 -3.198 0.920 1.00 0.34 H new ATOM 0 HA CYS A 41 -4.619 -1.788 2.734 1.00 0.33 H new ATOM 0 HB2 CYS A 41 -3.047 0.224 2.155 1.00 0.36 H new ATOM 0 HB3 CYS A 41 -2.570 -0.898 3.414 1.00 0.36 H new ATOM 0 HG CYS A 41 -1.433 -1.503 0.259 1.00 0.63 H new ATOM 700 N TYR A 42 -5.416 -0.214 0.889 1.00 0.27 N ATOM 701 CA TYR A 42 -6.153 0.415 -0.196 1.00 0.26 C ATOM 702 C TYR A 42 -5.968 1.932 -0.138 1.00 0.24 C ATOM 703 O TYR A 42 -6.244 2.560 0.885 1.00 0.26 O ATOM 704 CB TYR A 42 -7.636 0.022 -0.090 1.00 0.26 C ATOM 705 CG TYR A 42 -8.622 1.033 -0.645 1.00 0.27 C ATOM 706 CD1 TYR A 42 -8.978 1.027 -1.988 1.00 0.39 C ATOM 707 CD2 TYR A 42 -9.202 1.984 0.183 1.00 0.28 C ATOM 708 CE1 TYR A 42 -9.880 1.946 -2.490 1.00 0.43 C ATOM 709 CE2 TYR A 42 -10.103 2.906 -0.309 1.00 0.36 C ATOM 710 CZ TYR A 42 -10.439 2.884 -1.647 1.00 0.39 C ATOM 711 OH TYR A 42 -11.337 3.801 -2.143 1.00 0.47 O ATOM 0 H TYR A 42 -5.617 0.177 1.809 1.00 0.27 H new ATOM 0 HA TYR A 42 -5.773 0.072 -1.158 1.00 0.26 H new ATOM 0 HB2 TYR A 42 -7.781 -0.924 -0.611 1.00 0.26 H new ATOM 0 HB3 TYR A 42 -7.873 -0.152 0.959 1.00 0.26 H new ATOM 0 HD1 TYR A 42 -8.543 0.293 -2.650 1.00 0.39 H new ATOM 0 HD2 TYR A 42 -8.943 2.003 1.231 1.00 0.28 H new ATOM 0 HE1 TYR A 42 -10.146 1.930 -3.537 1.00 0.43 H new ATOM 0 HE2 TYR A 42 -10.543 3.641 0.349 1.00 0.36 H new ATOM 0 HH TYR A 42 -11.637 4.389 -1.419 1.00 0.47 H new ATOM 721 N ILE A 43 -5.489 2.511 -1.232 1.00 0.23 N ATOM 722 CA ILE A 43 -5.256 3.953 -1.284 1.00 0.24 C ATOM 723 C ILE A 43 -6.550 4.719 -1.534 1.00 0.27 C ATOM 724 O ILE A 43 -7.423 4.270 -2.277 1.00 0.35 O ATOM 725 CB ILE A 43 -4.236 4.338 -2.374 1.00 0.25 C ATOM 726 CG1 ILE A 43 -2.913 3.608 -2.151 1.00 0.26 C ATOM 727 CG2 ILE A 43 -4.009 5.844 -2.387 1.00 0.29 C ATOM 728 CD1 ILE A 43 -2.484 2.773 -3.331 1.00 1.07 C ATOM 0 H ILE A 43 -5.255 2.011 -2.090 1.00 0.23 H new ATOM 0 HA ILE A 43 -4.852 4.226 -0.309 1.00 0.24 H new ATOM 0 HB ILE A 43 -4.641 4.039 -3.341 1.00 0.25 H new ATOM 0 HG12 ILE A 43 -2.135 4.339 -1.931 1.00 0.26 H new ATOM 0 HG13 ILE A 43 -3.004 2.966 -1.275 1.00 0.26 H new ATOM 0 HG21 ILE A 43 -3.286 6.096 -3.163 1.00 0.29 H new ATOM 0 HG22 ILE A 43 -4.952 6.352 -2.590 1.00 0.29 H new ATOM 0 HG23 ILE A 43 -3.627 6.163 -1.417 1.00 0.29 H new ATOM 0 HD11 ILE A 43 -1.537 2.283 -3.105 1.00 1.07 H new ATOM 0 HD12 ILE A 43 -3.243 2.019 -3.538 1.00 1.07 H new ATOM 0 HD13 ILE A 43 -2.361 3.413 -4.204 1.00 1.07 H new ATOM 740 N LEU A 44 -6.641 5.896 -0.929 1.00 0.26 N ATOM 741 CA LEU A 44 -7.804 6.759 -1.082 1.00 0.29 C ATOM 742 C LEU A 44 -7.421 8.072 -1.769 1.00 0.26 C ATOM 743 O LEU A 44 -8.275 8.755 -2.332 1.00 0.35 O ATOM 744 CB LEU A 44 -8.427 7.047 0.285 1.00 0.37 C ATOM 745 CG LEU A 44 -9.574 8.060 0.279 1.00 0.41 C ATOM 746 CD1 LEU A 44 -10.838 7.431 -0.288 1.00 0.90 C ATOM 747 CD2 LEU A 44 -9.822 8.590 1.682 1.00 0.69 C ATOM 0 H LEU A 44 -5.915 6.277 -0.322 1.00 0.26 H new ATOM 0 HA LEU A 44 -8.533 6.244 -1.707 1.00 0.29 H new ATOM 0 HB2 LEU A 44 -8.794 6.110 0.704 1.00 0.37 H new ATOM 0 HB3 LEU A 44 -7.646 7.411 0.953 1.00 0.37 H new ATOM 0 HG LEU A 44 -9.292 8.897 -0.360 1.00 0.41 H new ATOM 0 HD11 LEU A 44 -11.643 8.166 -0.285 1.00 0.90 H new ATOM 0 HD12 LEU A 44 -10.653 7.100 -1.310 1.00 0.90 H new ATOM 0 HD13 LEU A 44 -11.125 6.576 0.324 1.00 0.90 H new ATOM 0 HD21 LEU A 44 -10.641 9.309 1.660 1.00 0.69 H new ATOM 0 HD22 LEU A 44 -10.083 7.763 2.342 1.00 0.69 H new ATOM 0 HD23 LEU A 44 -8.920 9.078 2.051 1.00 0.69 H new ATOM 759 N GLU A 45 -6.131 8.414 -1.724 1.00 0.22 N ATOM 760 CA GLU A 45 -5.634 9.638 -2.343 1.00 0.23 C ATOM 761 C GLU A 45 -4.143 9.819 -2.065 1.00 0.23 C ATOM 762 O GLU A 45 -3.752 10.185 -0.957 1.00 0.38 O ATOM 763 CB GLU A 45 -6.405 10.852 -1.821 1.00 0.29 C ATOM 764 CG GLU A 45 -6.325 11.019 -0.312 1.00 0.52 C ATOM 765 CD GLU A 45 -7.620 11.535 0.287 1.00 0.80 C ATOM 766 OE1 GLU A 45 -8.235 12.437 -0.318 1.00 1.12 O ATOM 767 OE2 GLU A 45 -8.017 11.036 1.360 1.00 1.44 O ATOM 0 H GLU A 45 -5.412 7.856 -1.263 1.00 0.22 H new ATOM 0 HA GLU A 45 -5.783 9.555 -3.420 1.00 0.23 H new ATOM 0 HB2 GLU A 45 -6.017 11.752 -2.299 1.00 0.29 H new ATOM 0 HB3 GLU A 45 -7.451 10.761 -2.113 1.00 0.29 H new ATOM 0 HG2 GLU A 45 -6.075 10.061 0.143 1.00 0.52 H new ATOM 0 HG3 GLU A 45 -5.516 11.708 -0.069 1.00 0.52 H new ATOM 774 N GLY A 46 -3.315 9.563 -3.074 1.00 0.18 N ATOM 775 CA GLY A 46 -1.879 9.710 -2.908 1.00 0.21 C ATOM 776 C GLY A 46 -1.088 8.939 -3.947 1.00 0.19 C ATOM 777 O GLY A 46 -1.644 8.111 -4.669 1.00 0.25 O ATOM 0 H GLY A 46 -3.611 9.257 -4.001 1.00 0.18 H new ATOM 0 HA2 GLY A 46 -1.617 10.766 -2.968 1.00 0.21 H new ATOM 0 HA3 GLY A 46 -1.595 9.367 -1.913 1.00 0.21 H new ATOM 781 N LYS A 47 0.213 9.206 -4.023 1.00 0.23 N ATOM 782 CA LYS A 47 1.074 8.532 -4.986 1.00 0.29 C ATOM 783 C LYS A 47 2.390 8.106 -4.346 1.00 0.25 C ATOM 784 O LYS A 47 3.106 8.926 -3.771 1.00 0.24 O ATOM 785 CB LYS A 47 1.354 9.448 -6.177 1.00 0.41 C ATOM 786 CG LYS A 47 1.062 8.802 -7.520 1.00 0.57 C ATOM 787 CD LYS A 47 2.186 9.046 -8.513 1.00 1.12 C ATOM 788 CE LYS A 47 3.295 8.017 -8.362 1.00 0.50 C ATOM 789 NZ LYS A 47 3.082 6.837 -9.244 1.00 1.10 N ATOM 0 H LYS A 47 0.692 9.883 -3.430 1.00 0.23 H new ATOM 0 HA LYS A 47 0.553 7.638 -5.330 1.00 0.29 H new ATOM 0 HB2 LYS A 47 0.753 10.352 -6.079 1.00 0.41 H new ATOM 0 HB3 LYS A 47 2.399 9.756 -6.151 1.00 0.41 H new ATOM 0 HG2 LYS A 47 0.921 7.730 -7.386 1.00 0.57 H new ATOM 0 HG3 LYS A 47 0.129 9.199 -7.920 1.00 0.57 H new ATOM 0 HD2 LYS A 47 1.790 9.010 -9.528 1.00 1.12 H new ATOM 0 HD3 LYS A 47 2.593 10.046 -8.365 1.00 1.12 H new ATOM 0 HE2 LYS A 47 4.253 8.479 -8.599 1.00 0.50 H new ATOM 0 HE3 LYS A 47 3.347 7.689 -7.324 1.00 0.50 H new ATOM 0 HZ1 LYS A 47 3.860 6.159 -9.111 1.00 1.10 H new ATOM 0 HZ2 LYS A 47 2.180 6.381 -9.001 1.00 1.10 H new ATOM 0 HZ3 LYS A 47 3.058 7.146 -10.237 1.00 1.10 H new ATOM 803 N VAL A 48 2.712 6.822 -4.466 1.00 0.31 N ATOM 804 CA VAL A 48 3.949 6.291 -3.905 1.00 0.32 C ATOM 805 C VAL A 48 4.671 5.400 -4.916 1.00 0.30 C ATOM 806 O VAL A 48 4.077 4.499 -5.508 1.00 0.34 O ATOM 807 CB VAL A 48 3.682 5.507 -2.591 1.00 0.39 C ATOM 808 CG1 VAL A 48 4.857 4.609 -2.203 1.00 0.52 C ATOM 809 CG2 VAL A 48 3.373 6.473 -1.461 1.00 0.64 C ATOM 0 H VAL A 48 2.135 6.131 -4.946 1.00 0.31 H new ATOM 0 HA VAL A 48 4.592 7.140 -3.670 1.00 0.32 H new ATOM 0 HB VAL A 48 2.822 4.861 -2.768 1.00 0.39 H new ATOM 0 HG11 VAL A 48 4.622 4.082 -1.278 1.00 0.52 H new ATOM 0 HG12 VAL A 48 5.039 3.885 -2.997 1.00 0.52 H new ATOM 0 HG13 VAL A 48 5.748 5.219 -2.057 1.00 0.52 H new ATOM 0 HG21 VAL A 48 3.187 5.913 -0.544 1.00 0.64 H new ATOM 0 HG22 VAL A 48 4.221 7.142 -1.312 1.00 0.64 H new ATOM 0 HG23 VAL A 48 2.489 7.058 -1.714 1.00 0.64 H new ATOM 819 N GLU A 49 5.965 5.649 -5.081 1.00 0.31 N ATOM 820 CA GLU A 49 6.797 4.846 -5.964 1.00 0.30 C ATOM 821 C GLU A 49 7.767 4.011 -5.135 1.00 0.30 C ATOM 822 O GLU A 49 8.662 4.547 -4.481 1.00 0.36 O ATOM 823 CB GLU A 49 7.560 5.741 -6.942 1.00 0.36 C ATOM 824 CG GLU A 49 6.660 6.635 -7.777 1.00 0.38 C ATOM 825 CD GLU A 49 7.413 7.359 -8.876 1.00 0.51 C ATOM 826 OE1 GLU A 49 8.547 6.942 -9.192 1.00 0.75 O ATOM 827 OE2 GLU A 49 6.870 8.343 -9.419 1.00 0.96 O ATOM 0 H GLU A 49 6.461 6.406 -4.611 1.00 0.31 H new ATOM 0 HA GLU A 49 6.159 4.178 -6.543 1.00 0.30 H new ATOM 0 HB2 GLU A 49 8.258 6.363 -6.383 1.00 0.36 H new ATOM 0 HB3 GLU A 49 8.154 5.114 -7.607 1.00 0.36 H new ATOM 0 HG2 GLU A 49 5.867 6.033 -8.221 1.00 0.38 H new ATOM 0 HG3 GLU A 49 6.179 7.367 -7.128 1.00 0.38 H new ATOM 834 N VAL A 50 7.563 2.700 -5.137 1.00 0.26 N ATOM 835 CA VAL A 50 8.376 1.800 -4.329 1.00 0.28 C ATOM 836 C VAL A 50 9.438 1.086 -5.159 1.00 0.26 C ATOM 837 O VAL A 50 9.158 0.576 -6.242 1.00 0.21 O ATOM 838 CB VAL A 50 7.492 0.742 -3.627 1.00 0.29 C ATOM 839 CG1 VAL A 50 8.340 -0.268 -2.863 1.00 0.35 C ATOM 840 CG2 VAL A 50 6.492 1.418 -2.701 1.00 0.33 C ATOM 0 H VAL A 50 6.842 2.236 -5.689 1.00 0.26 H new ATOM 0 HA VAL A 50 8.877 2.418 -3.583 1.00 0.28 H new ATOM 0 HB VAL A 50 6.942 0.198 -4.394 1.00 0.29 H new ATOM 0 HG11 VAL A 50 7.690 -0.998 -2.381 1.00 0.35 H new ATOM 0 HG12 VAL A 50 9.009 -0.779 -3.555 1.00 0.35 H new ATOM 0 HG13 VAL A 50 8.928 0.250 -2.106 1.00 0.35 H new ATOM 0 HG21 VAL A 50 5.877 0.661 -2.214 1.00 0.33 H new ATOM 0 HG22 VAL A 50 7.027 1.992 -1.945 1.00 0.33 H new ATOM 0 HG23 VAL A 50 5.854 2.086 -3.280 1.00 0.33 H new ATOM 850 N THR A 51 10.650 1.036 -4.619 1.00 0.32 N ATOM 851 CA THR A 51 11.749 0.326 -5.257 1.00 0.33 C ATOM 852 C THR A 51 12.376 -0.652 -4.268 1.00 0.37 C ATOM 853 O THR A 51 12.936 -0.244 -3.251 1.00 0.44 O ATOM 854 CB THR A 51 12.805 1.307 -5.766 1.00 0.40 C ATOM 855 OG1 THR A 51 12.208 2.318 -6.559 1.00 0.49 O ATOM 856 CG2 THR A 51 13.884 0.648 -6.597 1.00 0.42 C ATOM 0 H THR A 51 10.896 1.482 -3.735 1.00 0.32 H new ATOM 0 HA THR A 51 11.356 -0.227 -6.110 1.00 0.33 H new ATOM 0 HB THR A 51 13.265 1.726 -4.871 1.00 0.40 H new ATOM 0 HG1 THR A 51 12.899 2.937 -6.874 1.00 0.49 H new ATOM 0 HG21 THR A 51 14.600 1.401 -6.926 1.00 0.42 H new ATOM 0 HG22 THR A 51 14.397 -0.104 -5.997 1.00 0.42 H new ATOM 0 HG23 THR A 51 13.433 0.172 -7.467 1.00 0.42 H new ATOM 864 N THR A 52 12.266 -1.943 -4.562 1.00 0.33 N ATOM 865 CA THR A 52 12.797 -2.972 -3.675 1.00 0.39 C ATOM 866 C THR A 52 14.261 -3.268 -3.978 1.00 0.42 C ATOM 867 O THR A 52 14.703 -3.165 -5.122 1.00 0.42 O ATOM 868 CB THR A 52 11.971 -4.253 -3.797 1.00 0.37 C ATOM 869 OG1 THR A 52 12.404 -5.023 -4.906 1.00 0.39 O ATOM 870 CG2 THR A 52 10.489 -3.996 -3.964 1.00 0.36 C ATOM 0 H THR A 52 11.816 -2.301 -5.404 1.00 0.33 H new ATOM 0 HA THR A 52 12.732 -2.596 -2.654 1.00 0.39 H new ATOM 0 HB THR A 52 12.125 -4.788 -2.860 1.00 0.37 H new ATOM 0 HG1 THR A 52 13.172 -5.571 -4.643 1.00 0.39 H new ATOM 0 HG21 THR A 52 9.962 -4.947 -4.045 1.00 0.36 H new ATOM 0 HG22 THR A 52 10.116 -3.446 -3.100 1.00 0.36 H new ATOM 0 HG23 THR A 52 10.321 -3.410 -4.868 1.00 0.36 H new ATOM 878 N GLU A 53 15.008 -3.639 -2.943 1.00 0.59 N ATOM 879 CA GLU A 53 16.421 -3.961 -3.095 1.00 0.65 C ATOM 880 C GLU A 53 16.610 -5.107 -4.082 1.00 0.55 C ATOM 881 O GLU A 53 17.552 -5.111 -4.874 1.00 0.52 O ATOM 882 CB GLU A 53 17.031 -4.331 -1.742 1.00 0.79 C ATOM 883 CG GLU A 53 16.203 -5.332 -0.953 1.00 1.21 C ATOM 884 CD GLU A 53 17.005 -6.030 0.128 1.00 2.08 C ATOM 885 OE1 GLU A 53 18.233 -6.176 -0.045 1.00 2.77 O ATOM 886 OE2 GLU A 53 16.404 -6.432 1.147 1.00 2.47 O ATOM 0 H GLU A 53 14.657 -3.724 -1.989 1.00 0.59 H new ATOM 0 HA GLU A 53 16.931 -3.080 -3.484 1.00 0.65 H new ATOM 0 HB2 GLU A 53 18.027 -4.743 -1.903 1.00 0.79 H new ATOM 0 HB3 GLU A 53 17.153 -3.425 -1.148 1.00 0.79 H new ATOM 0 HG2 GLU A 53 15.356 -4.818 -0.497 1.00 1.21 H new ATOM 0 HG3 GLU A 53 15.794 -6.077 -1.635 1.00 1.21 H new ATOM 893 N ASP A 54 15.705 -6.079 -4.029 1.00 0.52 N ATOM 894 CA ASP A 54 15.762 -7.224 -4.927 1.00 0.46 C ATOM 895 C ASP A 54 15.855 -6.763 -6.377 1.00 0.38 C ATOM 896 O ASP A 54 16.463 -7.429 -7.216 1.00 0.39 O ATOM 897 CB ASP A 54 14.528 -8.109 -4.737 1.00 0.49 C ATOM 898 CG ASP A 54 14.692 -9.476 -5.371 1.00 1.10 C ATOM 899 OD1 ASP A 54 15.621 -10.210 -4.970 1.00 1.43 O ATOM 900 OD2 ASP A 54 13.892 -9.815 -6.268 1.00 1.88 O ATOM 0 H ASP A 54 14.924 -6.095 -3.373 1.00 0.52 H new ATOM 0 HA ASP A 54 16.653 -7.804 -4.688 1.00 0.46 H new ATOM 0 HB2 ASP A 54 14.330 -8.227 -3.672 1.00 0.49 H new ATOM 0 HB3 ASP A 54 13.659 -7.613 -5.169 1.00 0.49 H new ATOM 905 N GLY A 55 15.255 -5.610 -6.659 1.00 0.35 N ATOM 906 CA GLY A 55 15.285 -5.065 -8.003 1.00 0.33 C ATOM 907 C GLY A 55 13.899 -4.895 -8.595 1.00 0.31 C ATOM 908 O GLY A 55 13.747 -4.779 -9.811 1.00 0.40 O ATOM 0 H GLY A 55 14.748 -5.043 -5.979 1.00 0.35 H new ATOM 0 HA2 GLY A 55 15.791 -4.099 -7.988 1.00 0.33 H new ATOM 0 HA3 GLY A 55 15.872 -5.722 -8.645 1.00 0.33 H new ATOM 912 N LYS A 56 12.885 -4.876 -7.735 1.00 0.26 N ATOM 913 CA LYS A 56 11.510 -4.711 -8.182 1.00 0.25 C ATOM 914 C LYS A 56 11.052 -3.268 -7.998 1.00 0.24 C ATOM 915 O LYS A 56 11.801 -2.426 -7.503 1.00 0.26 O ATOM 916 CB LYS A 56 10.583 -5.654 -7.411 1.00 0.26 C ATOM 917 CG LYS A 56 11.215 -6.996 -7.083 1.00 0.37 C ATOM 918 CD LYS A 56 10.314 -8.150 -7.489 1.00 0.81 C ATOM 919 CE LYS A 56 10.884 -8.911 -8.674 1.00 0.86 C ATOM 920 NZ LYS A 56 12.084 -9.708 -8.299 1.00 1.72 N ATOM 0 H LYS A 56 12.992 -4.973 -6.725 1.00 0.26 H new ATOM 0 HA LYS A 56 11.466 -4.958 -9.243 1.00 0.25 H new ATOM 0 HB2 LYS A 56 10.276 -5.170 -6.484 1.00 0.26 H new ATOM 0 HB3 LYS A 56 9.679 -5.821 -7.997 1.00 0.26 H new ATOM 0 HG2 LYS A 56 12.173 -7.083 -7.596 1.00 0.37 H new ATOM 0 HG3 LYS A 56 11.419 -7.051 -6.014 1.00 0.37 H new ATOM 0 HD2 LYS A 56 10.188 -8.829 -6.646 1.00 0.81 H new ATOM 0 HD3 LYS A 56 9.325 -7.769 -7.742 1.00 0.81 H new ATOM 0 HE2 LYS A 56 10.120 -9.574 -9.080 1.00 0.86 H new ATOM 0 HE3 LYS A 56 11.148 -8.208 -9.464 1.00 0.86 H new ATOM 0 HZ1 LYS A 56 12.786 -9.660 -9.065 1.00 1.72 H new ATOM 0 HZ2 LYS A 56 12.497 -9.323 -7.426 1.00 1.72 H new ATOM 0 HZ3 LYS A 56 11.808 -10.699 -8.144 1.00 1.72 H new ATOM 934 N LYS A 57 9.821 -2.987 -8.410 1.00 0.24 N ATOM 935 CA LYS A 57 9.261 -1.649 -8.288 1.00 0.23 C ATOM 936 C LYS A 57 7.738 -1.700 -8.262 1.00 0.26 C ATOM 937 O LYS A 57 7.116 -2.360 -9.094 1.00 0.36 O ATOM 938 CB LYS A 57 9.736 -0.765 -9.443 1.00 0.29 C ATOM 939 CG LYS A 57 9.990 0.679 -9.041 1.00 0.54 C ATOM 940 CD LYS A 57 10.902 1.384 -10.034 1.00 0.73 C ATOM 941 CE LYS A 57 12.365 1.056 -9.777 1.00 0.67 C ATOM 942 NZ LYS A 57 13.238 1.497 -10.900 1.00 1.32 N ATOM 0 H LYS A 57 9.192 -3.670 -8.832 1.00 0.24 H new ATOM 0 HA LYS A 57 9.609 -1.220 -7.348 1.00 0.23 H new ATOM 0 HB2 LYS A 57 10.653 -1.185 -9.857 1.00 0.29 H new ATOM 0 HB3 LYS A 57 8.989 -0.786 -10.237 1.00 0.29 H new ATOM 0 HG2 LYS A 57 9.041 1.212 -8.976 1.00 0.54 H new ATOM 0 HG3 LYS A 57 10.440 0.707 -8.049 1.00 0.54 H new ATOM 0 HD2 LYS A 57 10.635 1.089 -11.049 1.00 0.73 H new ATOM 0 HD3 LYS A 57 10.752 2.461 -9.966 1.00 0.73 H new ATOM 0 HE2 LYS A 57 12.689 1.538 -8.855 1.00 0.67 H new ATOM 0 HE3 LYS A 57 12.476 -0.018 -9.631 1.00 0.67 H new ATOM 0 HZ1 LYS A 57 14.227 1.255 -10.687 1.00 1.32 H new ATOM 0 HZ2 LYS A 57 12.946 1.018 -11.776 1.00 1.32 H new ATOM 0 HZ3 LYS A 57 13.152 2.526 -11.023 1.00 1.32 H new ATOM 956 N TYR A 58 7.142 -1.003 -7.302 1.00 0.23 N ATOM 957 CA TYR A 58 5.691 -0.978 -7.169 1.00 0.28 C ATOM 958 C TYR A 58 5.161 0.450 -7.194 1.00 0.23 C ATOM 959 O TYR A 58 5.530 1.277 -6.361 1.00 0.23 O ATOM 960 CB TYR A 58 5.265 -1.666 -5.871 1.00 0.37 C ATOM 961 CG TYR A 58 6.122 -2.856 -5.504 1.00 0.39 C ATOM 962 CD1 TYR A 58 6.329 -3.892 -6.407 1.00 0.43 C ATOM 963 CD2 TYR A 58 6.724 -2.943 -4.256 1.00 0.40 C ATOM 964 CE1 TYR A 58 7.112 -4.981 -6.075 1.00 0.47 C ATOM 965 CE2 TYR A 58 7.508 -4.029 -3.917 1.00 0.44 C ATOM 966 CZ TYR A 58 7.699 -5.045 -4.831 1.00 0.46 C ATOM 967 OH TYR A 58 8.480 -6.127 -4.495 1.00 0.51 O ATOM 0 H TYR A 58 7.640 -0.449 -6.606 1.00 0.23 H new ATOM 0 HA TYR A 58 5.268 -1.517 -8.017 1.00 0.28 H new ATOM 0 HB2 TYR A 58 5.299 -0.941 -5.058 1.00 0.37 H new ATOM 0 HB3 TYR A 58 4.229 -1.991 -5.966 1.00 0.37 H new ATOM 0 HD1 TYR A 58 5.871 -3.845 -7.384 1.00 0.43 H new ATOM 0 HD2 TYR A 58 6.577 -2.149 -3.539 1.00 0.40 H new ATOM 0 HE1 TYR A 58 7.263 -5.778 -6.788 1.00 0.47 H new ATOM 0 HE2 TYR A 58 7.969 -4.082 -2.942 1.00 0.44 H new ATOM 0 HH TYR A 58 8.905 -6.486 -5.301 1.00 0.51 H new ATOM 977 N VAL A 59 4.286 0.730 -8.153 1.00 0.27 N ATOM 978 CA VAL A 59 3.678 2.048 -8.274 1.00 0.26 C ATOM 979 C VAL A 59 2.190 1.977 -7.961 1.00 0.28 C ATOM 980 O VAL A 59 1.429 1.309 -8.663 1.00 0.37 O ATOM 981 CB VAL A 59 3.870 2.637 -9.683 1.00 0.37 C ATOM 982 CG1 VAL A 59 5.350 2.791 -10.000 1.00 1.24 C ATOM 983 CG2 VAL A 59 3.180 1.770 -10.723 1.00 0.47 C ATOM 0 H VAL A 59 3.982 0.060 -8.859 1.00 0.27 H new ATOM 0 HA VAL A 59 4.177 2.699 -7.556 1.00 0.26 H new ATOM 0 HB VAL A 59 3.413 3.626 -9.709 1.00 0.37 H new ATOM 0 HG11 VAL A 59 5.466 3.209 -11.000 1.00 1.24 H new ATOM 0 HG12 VAL A 59 5.810 3.459 -9.272 1.00 1.24 H new ATOM 0 HG13 VAL A 59 5.835 1.816 -9.955 1.00 1.24 H new ATOM 0 HG21 VAL A 59 3.327 2.203 -11.713 1.00 0.47 H new ATOM 0 HG22 VAL A 59 3.604 0.766 -10.699 1.00 0.47 H new ATOM 0 HG23 VAL A 59 2.113 1.719 -10.504 1.00 0.47 H new ATOM 993 N ILE A 60 1.782 2.651 -6.894 1.00 0.27 N ATOM 994 CA ILE A 60 0.389 2.634 -6.473 1.00 0.33 C ATOM 995 C ILE A 60 -0.149 4.047 -6.277 1.00 0.29 C ATOM 996 O ILE A 60 0.457 4.863 -5.582 1.00 0.40 O ATOM 997 CB ILE A 60 0.222 1.841 -5.169 1.00 0.42 C ATOM 998 CG1 ILE A 60 1.139 2.400 -4.081 1.00 0.43 C ATOM 999 CG2 ILE A 60 0.523 0.373 -5.411 1.00 0.52 C ATOM 1000 CD1 ILE A 60 0.457 2.567 -2.741 1.00 0.94 C ATOM 0 H ILE A 60 2.395 3.215 -6.306 1.00 0.27 H new ATOM 0 HA ILE A 60 -0.181 2.149 -7.265 1.00 0.33 H new ATOM 0 HB ILE A 60 -0.810 1.938 -4.831 1.00 0.42 H new ATOM 0 HG12 ILE A 60 1.996 1.736 -3.963 1.00 0.43 H new ATOM 0 HG13 ILE A 60 1.526 3.366 -4.405 1.00 0.43 H new ATOM 0 HG21 ILE A 60 0.402 -0.181 -4.480 1.00 0.52 H new ATOM 0 HG22 ILE A 60 -0.164 -0.021 -6.160 1.00 0.52 H new ATOM 0 HG23 ILE A 60 1.548 0.266 -5.767 1.00 0.52 H new ATOM 0 HD11 ILE A 60 1.168 2.968 -2.018 1.00 0.94 H new ATOM 0 HD12 ILE A 60 -0.383 3.254 -2.843 1.00 0.94 H new ATOM 0 HD13 ILE A 60 0.094 1.599 -2.395 1.00 0.94 H new ATOM 1012 N GLU A 61 -1.270 4.342 -6.927 1.00 0.26 N ATOM 1013 CA GLU A 61 -1.870 5.664 -6.837 1.00 0.24 C ATOM 1014 C GLU A 61 -3.385 5.598 -6.713 1.00 0.23 C ATOM 1015 O GLU A 61 -4.026 4.732 -7.308 1.00 0.41 O ATOM 1016 CB GLU A 61 -1.499 6.498 -8.062 1.00 0.39 C ATOM 1017 CG GLU A 61 -2.087 7.898 -8.032 1.00 0.41 C ATOM 1018 CD GLU A 61 -1.783 8.688 -9.290 1.00 0.47 C ATOM 1019 OE1 GLU A 61 -0.856 8.293 -10.029 1.00 0.57 O ATOM 1020 OE2 GLU A 61 -2.471 9.701 -9.537 1.00 0.79 O ATOM 0 H GLU A 61 -1.778 3.685 -7.519 1.00 0.26 H new ATOM 0 HA GLU A 61 -1.477 6.133 -5.935 1.00 0.24 H new ATOM 0 HB2 GLU A 61 -0.413 6.568 -8.131 1.00 0.39 H new ATOM 0 HB3 GLU A 61 -1.843 5.985 -8.960 1.00 0.39 H new ATOM 0 HG2 GLU A 61 -3.167 7.831 -7.902 1.00 0.41 H new ATOM 0 HG3 GLU A 61 -1.695 8.434 -7.168 1.00 0.41 H new ATOM 1027 N LYS A 62 -3.932 6.568 -5.968 1.00 0.19 N ATOM 1028 CA LYS A 62 -5.380 6.738 -5.748 1.00 0.25 C ATOM 1029 C LYS A 62 -6.227 5.547 -6.199 1.00 0.28 C ATOM 1030 O LYS A 62 -6.378 5.298 -7.396 1.00 0.41 O ATOM 1031 CB LYS A 62 -5.862 7.994 -6.474 1.00 0.40 C ATOM 1032 CG LYS A 62 -7.356 8.244 -6.340 1.00 0.50 C ATOM 1033 CD LYS A 62 -7.813 8.143 -4.893 1.00 0.57 C ATOM 1034 CE LYS A 62 -8.623 6.881 -4.649 1.00 0.97 C ATOM 1035 NZ LYS A 62 -10.020 7.189 -4.234 1.00 0.82 N ATOM 0 H LYS A 62 -3.371 7.273 -5.490 1.00 0.19 H new ATOM 0 HA LYS A 62 -5.513 6.823 -4.669 1.00 0.25 H new ATOM 0 HB2 LYS A 62 -5.322 8.857 -6.085 1.00 0.40 H new ATOM 0 HB3 LYS A 62 -5.610 7.911 -7.531 1.00 0.40 H new ATOM 0 HG2 LYS A 62 -7.596 9.233 -6.730 1.00 0.50 H new ATOM 0 HG3 LYS A 62 -7.902 7.521 -6.946 1.00 0.50 H new ATOM 0 HD2 LYS A 62 -6.944 8.151 -4.235 1.00 0.57 H new ATOM 0 HD3 LYS A 62 -8.414 9.016 -4.639 1.00 0.57 H new ATOM 0 HE2 LYS A 62 -8.639 6.278 -5.557 1.00 0.97 H new ATOM 0 HE3 LYS A 62 -8.139 6.282 -3.878 1.00 0.97 H new ATOM 0 HZ1 LYS A 62 -10.498 6.311 -3.947 1.00 0.82 H new ATOM 0 HZ2 LYS A 62 -10.006 7.853 -3.434 1.00 0.82 H new ATOM 0 HZ3 LYS A 62 -10.532 7.618 -5.031 1.00 0.82 H new ATOM 1049 N GLY A 63 -6.818 4.854 -5.236 1.00 0.30 N ATOM 1050 CA GLY A 63 -7.677 3.727 -5.551 1.00 0.39 C ATOM 1051 C GLY A 63 -6.900 2.495 -5.968 1.00 0.39 C ATOM 1052 O GLY A 63 -7.345 1.730 -6.822 1.00 0.68 O ATOM 0 H GLY A 63 -6.719 5.051 -4.240 1.00 0.30 H new ATOM 0 HA2 GLY A 63 -8.289 3.488 -4.681 1.00 0.39 H new ATOM 0 HA3 GLY A 63 -8.359 4.009 -6.353 1.00 0.39 H new ATOM 1056 N ASP A 64 -5.737 2.303 -5.360 1.00 0.33 N ATOM 1057 CA ASP A 64 -4.899 1.151 -5.660 1.00 0.35 C ATOM 1058 C ASP A 64 -4.641 0.331 -4.403 1.00 0.32 C ATOM 1059 O ASP A 64 -4.607 0.865 -3.294 1.00 0.49 O ATOM 1060 CB ASP A 64 -3.570 1.602 -6.270 1.00 0.41 C ATOM 1061 CG ASP A 64 -3.151 0.743 -7.448 1.00 1.12 C ATOM 1062 OD1 ASP A 64 -3.356 -0.488 -7.389 1.00 2.00 O ATOM 1063 OD2 ASP A 64 -2.620 1.303 -8.431 1.00 1.51 O ATOM 0 H ASP A 64 -5.352 2.932 -4.655 1.00 0.33 H new ATOM 0 HA ASP A 64 -5.426 0.527 -6.382 1.00 0.35 H new ATOM 0 HB2 ASP A 64 -3.656 2.639 -6.593 1.00 0.41 H new ATOM 0 HB3 ASP A 64 -2.793 1.569 -5.506 1.00 0.41 H new ATOM 1068 N LEU A 65 -4.492 -0.975 -4.579 1.00 0.29 N ATOM 1069 CA LEU A 65 -4.220 -1.868 -3.460 1.00 0.26 C ATOM 1070 C LEU A 65 -3.161 -2.900 -3.845 1.00 0.24 C ATOM 1071 O LEU A 65 -3.169 -3.424 -4.959 1.00 0.27 O ATOM 1072 CB LEU A 65 -5.506 -2.538 -2.978 1.00 0.31 C ATOM 1073 CG LEU A 65 -5.938 -3.796 -3.727 1.00 0.53 C ATOM 1074 CD1 LEU A 65 -7.278 -4.276 -3.194 1.00 0.47 C ATOM 1075 CD2 LEU A 65 -6.012 -3.537 -5.217 1.00 0.37 C ATOM 0 H LEU A 65 -4.555 -1.440 -5.485 1.00 0.29 H new ATOM 0 HA LEU A 65 -3.826 -1.279 -2.632 1.00 0.26 H new ATOM 0 HB2 LEU A 65 -5.385 -2.792 -1.925 1.00 0.31 H new ATOM 0 HB3 LEU A 65 -6.314 -1.809 -3.039 1.00 0.31 H new ATOM 0 HG LEU A 65 -5.195 -4.576 -3.563 1.00 0.53 H new ATOM 0 HD11 LEU A 65 -7.583 -5.174 -3.731 1.00 0.47 H new ATOM 0 HD12 LEU A 65 -7.187 -4.502 -2.132 1.00 0.47 H new ATOM 0 HD13 LEU A 65 -8.027 -3.497 -3.336 1.00 0.47 H new ATOM 0 HD21 LEU A 65 -6.322 -4.448 -5.730 1.00 0.37 H new ATOM 0 HD22 LEU A 65 -6.736 -2.746 -5.413 1.00 0.37 H new ATOM 0 HD23 LEU A 65 -5.032 -3.231 -5.582 1.00 0.37 H new ATOM 1087 N VAL A 66 -2.228 -3.155 -2.934 1.00 0.22 N ATOM 1088 CA VAL A 66 -1.121 -4.068 -3.210 1.00 0.24 C ATOM 1089 C VAL A 66 -0.932 -5.097 -2.099 1.00 0.22 C ATOM 1090 O VAL A 66 -1.266 -4.854 -0.940 1.00 0.24 O ATOM 1091 CB VAL A 66 0.196 -3.290 -3.414 1.00 0.29 C ATOM 1092 CG1 VAL A 66 1.382 -4.233 -3.575 1.00 0.54 C ATOM 1093 CG2 VAL A 66 0.077 -2.379 -4.619 1.00 0.30 C ATOM 0 H VAL A 66 -2.215 -2.745 -2.000 1.00 0.22 H new ATOM 0 HA VAL A 66 -1.378 -4.599 -4.127 1.00 0.24 H new ATOM 0 HB VAL A 66 0.374 -2.686 -2.524 1.00 0.29 H new ATOM 0 HG11 VAL A 66 2.293 -3.651 -3.717 1.00 0.54 H new ATOM 0 HG12 VAL A 66 1.481 -4.850 -2.682 1.00 0.54 H new ATOM 0 HG13 VAL A 66 1.222 -4.874 -4.442 1.00 0.54 H new ATOM 0 HG21 VAL A 66 1.011 -1.833 -4.756 1.00 0.30 H new ATOM 0 HG22 VAL A 66 -0.128 -2.976 -5.508 1.00 0.30 H new ATOM 0 HG23 VAL A 66 -0.737 -1.671 -4.461 1.00 0.30 H new ATOM 1103 N THR A 67 -0.401 -6.258 -2.479 1.00 0.24 N ATOM 1104 CA THR A 67 -0.112 -7.321 -1.526 1.00 0.24 C ATOM 1105 C THR A 67 1.377 -7.320 -1.196 1.00 0.27 C ATOM 1106 O THR A 67 2.206 -7.009 -2.048 1.00 0.32 O ATOM 1107 CB THR A 67 -0.536 -8.678 -2.101 1.00 0.22 C ATOM 1108 OG1 THR A 67 -1.949 -8.783 -2.135 1.00 0.29 O ATOM 1109 CG2 THR A 67 -0.010 -9.863 -1.318 1.00 0.25 C ATOM 0 H THR A 67 -0.162 -6.484 -3.445 1.00 0.24 H new ATOM 0 HA THR A 67 -0.677 -7.147 -0.610 1.00 0.24 H new ATOM 0 HB THR A 67 -0.106 -8.711 -3.102 1.00 0.22 H new ATOM 0 HG1 THR A 67 -2.243 -9.450 -1.480 1.00 0.29 H new ATOM 0 HG21 THR A 67 -0.351 -10.787 -1.784 1.00 0.25 H new ATOM 0 HG22 THR A 67 1.080 -9.840 -1.312 1.00 0.25 H new ATOM 0 HG23 THR A 67 -0.380 -9.815 -0.294 1.00 0.25 H new ATOM 1117 N PHE A 68 1.717 -7.646 0.045 1.00 0.31 N ATOM 1118 CA PHE A 68 3.113 -7.647 0.460 1.00 0.39 C ATOM 1119 C PHE A 68 3.438 -8.856 1.336 1.00 0.37 C ATOM 1120 O PHE A 68 2.651 -9.236 2.203 1.00 0.40 O ATOM 1121 CB PHE A 68 3.440 -6.355 1.208 1.00 0.55 C ATOM 1122 CG PHE A 68 3.001 -5.117 0.479 1.00 0.49 C ATOM 1123 CD1 PHE A 68 1.693 -4.672 0.567 1.00 0.62 C ATOM 1124 CD2 PHE A 68 3.901 -4.396 -0.291 1.00 0.53 C ATOM 1125 CE1 PHE A 68 1.288 -3.532 -0.101 1.00 0.67 C ATOM 1126 CE2 PHE A 68 3.502 -3.255 -0.961 1.00 0.55 C ATOM 1127 CZ PHE A 68 2.189 -2.827 -0.871 1.00 0.57 C ATOM 0 H PHE A 68 1.054 -7.910 0.773 1.00 0.31 H new ATOM 0 HA PHE A 68 3.727 -7.710 -0.438 1.00 0.39 H new ATOM 0 HB2 PHE A 68 2.962 -6.380 2.187 1.00 0.55 H new ATOM 0 HB3 PHE A 68 4.515 -6.305 1.379 1.00 0.55 H new ATOM 0 HD1 PHE A 68 0.981 -5.222 1.164 1.00 0.62 H new ATOM 0 HD2 PHE A 68 4.925 -4.730 -0.368 1.00 0.53 H new ATOM 0 HE1 PHE A 68 0.266 -3.193 -0.020 1.00 0.67 H new ATOM 0 HE2 PHE A 68 4.213 -2.699 -1.553 1.00 0.55 H new ATOM 0 HZ PHE A 68 1.871 -1.943 -1.403 1.00 0.57 H new ATOM 1137 N PRO A 69 4.619 -9.467 1.127 1.00 0.39 N ATOM 1138 CA PRO A 69 5.055 -10.637 1.882 1.00 0.43 C ATOM 1139 C PRO A 69 5.849 -10.270 3.128 1.00 0.48 C ATOM 1140 O PRO A 69 6.589 -9.285 3.137 1.00 0.63 O ATOM 1141 CB PRO A 69 5.958 -11.343 0.879 1.00 0.50 C ATOM 1142 CG PRO A 69 6.597 -10.233 0.109 1.00 0.50 C ATOM 1143 CD PRO A 69 5.615 -9.084 0.108 1.00 0.43 C ATOM 0 HA PRO A 69 4.218 -11.231 2.249 1.00 0.43 H new ATOM 0 HB2 PRO A 69 6.704 -11.959 1.381 1.00 0.50 H new ATOM 0 HB3 PRO A 69 5.387 -12.003 0.226 1.00 0.50 H new ATOM 0 HG2 PRO A 69 7.540 -9.936 0.568 1.00 0.50 H new ATOM 0 HG3 PRO A 69 6.824 -10.549 -0.909 1.00 0.50 H new ATOM 0 HD2 PRO A 69 6.102 -8.142 0.360 1.00 0.43 H new ATOM 0 HD3 PRO A 69 5.155 -8.953 -0.871 1.00 0.43 H new ATOM 1151 N LYS A 70 5.721 -11.084 4.170 1.00 0.44 N ATOM 1152 CA LYS A 70 6.450 -10.849 5.409 1.00 0.49 C ATOM 1153 C LYS A 70 7.954 -10.930 5.173 1.00 0.51 C ATOM 1154 O LYS A 70 8.521 -12.016 5.051 1.00 0.69 O ATOM 1155 CB LYS A 70 6.036 -11.859 6.479 1.00 0.61 C ATOM 1156 CG LYS A 70 6.641 -11.571 7.842 1.00 0.82 C ATOM 1157 CD LYS A 70 5.981 -12.399 8.931 1.00 0.78 C ATOM 1158 CE LYS A 70 6.679 -13.735 9.104 1.00 1.10 C ATOM 1159 NZ LYS A 70 6.988 -14.021 10.532 1.00 1.62 N ATOM 0 H LYS A 70 5.121 -11.909 4.181 1.00 0.44 H new ATOM 0 HA LYS A 70 6.204 -9.847 5.759 1.00 0.49 H new ATOM 0 HB2 LYS A 70 4.949 -11.862 6.565 1.00 0.61 H new ATOM 0 HB3 LYS A 70 6.334 -12.858 6.161 1.00 0.61 H new ATOM 0 HG2 LYS A 70 7.710 -11.784 7.819 1.00 0.82 H new ATOM 0 HG3 LYS A 70 6.532 -10.511 8.073 1.00 0.82 H new ATOM 0 HD2 LYS A 70 6.003 -11.850 9.872 1.00 0.78 H new ATOM 0 HD3 LYS A 70 4.933 -12.563 8.682 1.00 0.78 H new ATOM 0 HE2 LYS A 70 6.048 -14.528 8.703 1.00 1.10 H new ATOM 0 HE3 LYS A 70 7.603 -13.739 8.525 1.00 1.10 H new ATOM 0 HZ1 LYS A 70 7.464 -14.943 10.606 1.00 1.62 H new ATOM 0 HZ2 LYS A 70 7.611 -13.278 10.908 1.00 1.62 H new ATOM 0 HZ3 LYS A 70 6.105 -14.043 11.081 1.00 1.62 H new ATOM 1173 N GLY A 71 8.590 -9.768 5.104 1.00 0.46 N ATOM 1174 CA GLY A 71 10.021 -9.706 4.870 1.00 0.46 C ATOM 1175 C GLY A 71 10.398 -8.720 3.773 1.00 0.36 C ATOM 1176 O GLY A 71 11.575 -8.418 3.583 1.00 0.36 O ATOM 0 H GLY A 71 8.137 -8.860 5.207 1.00 0.46 H new ATOM 0 HA2 GLY A 71 10.524 -9.423 5.795 1.00 0.46 H new ATOM 0 HA3 GLY A 71 10.384 -10.698 4.601 1.00 0.46 H new ATOM 1180 N LEU A 72 9.396 -8.215 3.056 1.00 0.36 N ATOM 1181 CA LEU A 72 9.629 -7.277 1.962 1.00 0.34 C ATOM 1182 C LEU A 72 10.312 -5.997 2.441 1.00 0.31 C ATOM 1183 O LEU A 72 9.685 -5.141 3.063 1.00 0.60 O ATOM 1184 CB LEU A 72 8.296 -6.938 1.282 1.00 0.43 C ATOM 1185 CG LEU A 72 8.297 -5.698 0.376 1.00 0.51 C ATOM 1186 CD1 LEU A 72 9.609 -5.577 -0.387 1.00 1.13 C ATOM 1187 CD2 LEU A 72 7.124 -5.750 -0.590 1.00 1.08 C ATOM 0 H LEU A 72 8.414 -8.441 3.214 1.00 0.36 H new ATOM 0 HA LEU A 72 10.299 -7.756 1.248 1.00 0.34 H new ATOM 0 HB2 LEU A 72 7.986 -7.797 0.687 1.00 0.43 H new ATOM 0 HB3 LEU A 72 7.542 -6.797 2.056 1.00 0.43 H new ATOM 0 HG LEU A 72 8.193 -4.816 1.008 1.00 0.51 H new ATOM 0 HD11 LEU A 72 9.581 -4.690 -1.020 1.00 1.13 H new ATOM 0 HD12 LEU A 72 10.434 -5.492 0.320 1.00 1.13 H new ATOM 0 HD13 LEU A 72 9.752 -6.462 -1.008 1.00 1.13 H new ATOM 0 HD21 LEU A 72 7.137 -4.865 -1.226 1.00 1.08 H new ATOM 0 HD22 LEU A 72 7.202 -6.643 -1.210 1.00 1.08 H new ATOM 0 HD23 LEU A 72 6.191 -5.779 -0.028 1.00 1.08 H new ATOM 1199 N ARG A 73 11.588 -5.850 2.098 1.00 0.26 N ATOM 1200 CA ARG A 73 12.340 -4.650 2.447 1.00 0.23 C ATOM 1201 C ARG A 73 12.451 -3.730 1.236 1.00 0.20 C ATOM 1202 O ARG A 73 13.045 -4.098 0.223 1.00 0.24 O ATOM 1203 CB ARG A 73 13.737 -5.021 2.946 1.00 0.27 C ATOM 1204 CG ARG A 73 14.272 -4.078 4.011 1.00 0.43 C ATOM 1205 CD ARG A 73 15.411 -3.224 3.479 1.00 0.68 C ATOM 1206 NE ARG A 73 14.926 -2.048 2.760 1.00 1.54 N ATOM 1207 CZ ARG A 73 15.677 -1.332 1.929 1.00 2.09 C ATOM 1208 NH1 ARG A 73 16.941 -1.672 1.716 1.00 2.40 N ATOM 1209 NH2 ARG A 73 15.165 -0.276 1.313 1.00 2.73 N ATOM 0 H ARG A 73 12.122 -6.547 1.579 1.00 0.26 H new ATOM 0 HA ARG A 73 11.809 -4.129 3.244 1.00 0.23 H new ATOM 0 HB2 ARG A 73 13.713 -6.034 3.348 1.00 0.27 H new ATOM 0 HB3 ARG A 73 14.425 -5.030 2.101 1.00 0.27 H new ATOM 0 HG2 ARG A 73 13.467 -3.433 4.365 1.00 0.43 H new ATOM 0 HG3 ARG A 73 14.619 -4.655 4.868 1.00 0.43 H new ATOM 0 HD2 ARG A 73 16.043 -2.906 4.308 1.00 0.68 H new ATOM 0 HD3 ARG A 73 16.034 -3.823 2.815 1.00 0.68 H new ATOM 0 HE ARG A 73 13.958 -1.761 2.904 1.00 1.54 H new ATOM 0 HH11 ARG A 73 17.338 -2.483 2.190 1.00 2.40 H new ATOM 0 HH12 ARG A 73 17.517 -1.122 1.078 1.00 2.40 H new ATOM 0 HH21 ARG A 73 14.193 -0.012 1.476 1.00 2.73 H new ATOM 0 HH22 ARG A 73 15.743 0.272 0.676 1.00 2.73 H new ATOM 1223 N CYS A 74 11.849 -2.548 1.327 1.00 0.20 N ATOM 1224 CA CYS A 74 11.871 -1.607 0.212 1.00 0.22 C ATOM 1225 C CYS A 74 11.784 -0.163 0.691 1.00 0.24 C ATOM 1226 O CYS A 74 11.337 0.110 1.805 1.00 0.31 O ATOM 1227 CB CYS A 74 10.720 -1.902 -0.750 1.00 0.27 C ATOM 1228 SG CYS A 74 9.098 -1.983 0.043 1.00 0.63 S ATOM 0 H CYS A 74 11.345 -2.221 2.152 1.00 0.20 H new ATOM 0 HA CYS A 74 12.822 -1.733 -0.306 1.00 0.22 H new ATOM 0 HB2 CYS A 74 10.698 -1.131 -1.520 1.00 0.27 H new ATOM 0 HB3 CYS A 74 10.915 -2.849 -1.253 1.00 0.27 H new ATOM 0 HG CYS A 74 8.837 -0.844 0.613 1.00 0.63 H new ATOM 1234 N ARG A 75 12.205 0.758 -0.168 1.00 0.25 N ATOM 1235 CA ARG A 75 12.157 2.181 0.143 1.00 0.28 C ATOM 1236 C ARG A 75 10.805 2.768 -0.249 1.00 0.31 C ATOM 1237 O ARG A 75 10.218 2.377 -1.258 1.00 0.37 O ATOM 1238 CB ARG A 75 13.283 2.917 -0.588 1.00 0.33 C ATOM 1239 CG ARG A 75 13.189 4.431 -0.492 1.00 0.54 C ATOM 1240 CD ARG A 75 13.577 4.927 0.891 1.00 0.99 C ATOM 1241 NE ARG A 75 15.016 5.145 1.011 1.00 1.50 N ATOM 1242 CZ ARG A 75 15.643 6.210 0.522 1.00 1.80 C ATOM 1243 NH1 ARG A 75 14.959 7.150 -0.116 1.00 2.25 N ATOM 1244 NH2 ARG A 75 16.955 6.336 0.670 1.00 2.32 N ATOM 0 H ARG A 75 12.585 0.543 -1.090 1.00 0.25 H new ATOM 0 HA ARG A 75 12.291 2.307 1.217 1.00 0.28 H new ATOM 0 HB2 ARG A 75 14.241 2.595 -0.179 1.00 0.33 H new ATOM 0 HB3 ARG A 75 13.272 2.627 -1.639 1.00 0.33 H new ATOM 0 HG2 ARG A 75 13.841 4.885 -1.238 1.00 0.54 H new ATOM 0 HG3 ARG A 75 12.172 4.749 -0.721 1.00 0.54 H new ATOM 0 HD2 ARG A 75 13.051 5.858 1.103 1.00 0.99 H new ATOM 0 HD3 ARG A 75 13.257 4.202 1.639 1.00 0.99 H new ATOM 0 HE ARG A 75 15.571 4.441 1.497 1.00 1.50 H new ATOM 0 HH11 ARG A 75 13.950 7.056 -0.232 1.00 2.25 H new ATOM 0 HH12 ARG A 75 15.442 7.967 -0.491 1.00 2.25 H new ATOM 0 HH21 ARG A 75 17.485 5.615 1.160 1.00 2.32 H new ATOM 0 HH22 ARG A 75 17.434 7.154 0.294 1.00 2.32 H new ATOM 1258 N TRP A 76 10.313 3.705 0.556 1.00 0.41 N ATOM 1259 CA TRP A 76 9.027 4.341 0.289 1.00 0.48 C ATOM 1260 C TRP A 76 9.210 5.812 -0.065 1.00 0.38 C ATOM 1261 O TRP A 76 10.091 6.484 0.472 1.00 0.49 O ATOM 1262 CB TRP A 76 8.109 4.212 1.504 1.00 0.72 C ATOM 1263 CG TRP A 76 7.554 2.833 1.686 1.00 0.63 C ATOM 1264 CD1 TRP A 76 8.262 1.685 1.896 1.00 0.97 C ATOM 1265 CD2 TRP A 76 6.172 2.457 1.674 1.00 0.89 C ATOM 1266 NE1 TRP A 76 7.405 0.618 2.016 1.00 1.28 N ATOM 1267 CE2 TRP A 76 6.117 1.067 1.883 1.00 1.28 C ATOM 1268 CE3 TRP A 76 4.977 3.162 1.506 1.00 1.19 C ATOM 1269 CZ2 TRP A 76 4.914 0.368 1.929 1.00 1.78 C ATOM 1270 CZ3 TRP A 76 3.783 2.468 1.552 1.00 1.71 C ATOM 1271 CH2 TRP A 76 3.759 1.083 1.761 1.00 1.95 C ATOM 0 H TRP A 76 10.784 4.040 1.396 1.00 0.41 H new ATOM 0 HA TRP A 76 8.570 3.834 -0.561 1.00 0.48 H new ATOM 0 HB2 TRP A 76 8.662 4.494 2.400 1.00 0.72 H new ATOM 0 HB3 TRP A 76 7.284 4.917 1.403 1.00 0.72 H new ATOM 0 HD1 TRP A 76 9.338 1.624 1.959 1.00 0.97 H new ATOM 0 HE1 TRP A 76 7.682 -0.350 2.178 1.00 1.28 H new ATOM 0 HE3 TRP A 76 4.987 4.230 1.343 1.00 1.19 H new ATOM 0 HZ2 TRP A 76 4.893 -0.700 2.091 1.00 1.78 H new ATOM 0 HZ3 TRP A 76 2.853 3.002 1.425 1.00 1.71 H new ATOM 0 HH2 TRP A 76 2.810 0.569 1.790 1.00 1.95 H new ATOM 1282 N LYS A 77 8.368 6.311 -0.964 1.00 0.35 N ATOM 1283 CA LYS A 77 8.447 7.706 -1.390 1.00 0.32 C ATOM 1284 C LYS A 77 7.072 8.229 -1.778 1.00 0.28 C ATOM 1285 O LYS A 77 6.455 7.740 -2.724 1.00 0.37 O ATOM 1286 CB LYS A 77 9.414 7.866 -2.570 1.00 0.42 C ATOM 1287 CG LYS A 77 10.418 6.735 -2.705 1.00 0.62 C ATOM 1288 CD LYS A 77 11.329 6.931 -3.905 1.00 0.67 C ATOM 1289 CE LYS A 77 10.541 6.951 -5.202 1.00 0.84 C ATOM 1290 NZ LYS A 77 10.242 8.339 -5.651 1.00 1.58 N ATOM 0 H LYS A 77 7.625 5.774 -1.411 1.00 0.35 H new ATOM 0 HA LYS A 77 8.823 8.288 -0.549 1.00 0.32 H new ATOM 0 HB2 LYS A 77 8.837 7.937 -3.492 1.00 0.42 H new ATOM 0 HB3 LYS A 77 9.954 8.806 -2.458 1.00 0.42 H new ATOM 0 HG2 LYS A 77 11.019 6.672 -1.798 1.00 0.62 H new ATOM 0 HG3 LYS A 77 9.888 5.788 -2.802 1.00 0.62 H new ATOM 0 HD2 LYS A 77 11.879 7.866 -3.797 1.00 0.67 H new ATOM 0 HD3 LYS A 77 12.067 6.129 -3.938 1.00 0.67 H new ATOM 0 HE2 LYS A 77 11.105 6.433 -5.977 1.00 0.84 H new ATOM 0 HE3 LYS A 77 9.608 6.404 -5.068 1.00 0.84 H new ATOM 0 HZ1 LYS A 77 9.274 8.381 -6.029 1.00 1.58 H new ATOM 0 HZ2 LYS A 77 10.327 8.991 -4.845 1.00 1.58 H new ATOM 0 HZ3 LYS A 77 10.916 8.617 -6.393 1.00 1.58 H new ATOM 1304 N VAL A 78 6.599 9.229 -1.045 1.00 0.28 N ATOM 1305 CA VAL A 78 5.297 9.821 -1.313 1.00 0.27 C ATOM 1306 C VAL A 78 5.445 11.145 -2.059 1.00 0.25 C ATOM 1307 O VAL A 78 6.091 12.075 -1.577 1.00 0.35 O ATOM 1308 CB VAL A 78 4.507 10.043 -0.007 1.00 0.39 C ATOM 1309 CG1 VAL A 78 3.176 10.731 -0.282 1.00 0.91 C ATOM 1310 CG2 VAL A 78 4.287 8.719 0.708 1.00 0.58 C ATOM 0 H VAL A 78 7.099 9.647 -0.260 1.00 0.28 H new ATOM 0 HA VAL A 78 4.743 9.123 -1.940 1.00 0.27 H new ATOM 0 HB VAL A 78 5.094 10.696 0.639 1.00 0.39 H new ATOM 0 HG11 VAL A 78 2.640 10.875 0.656 1.00 0.91 H new ATOM 0 HG12 VAL A 78 3.357 11.699 -0.749 1.00 0.91 H new ATOM 0 HG13 VAL A 78 2.578 10.112 -0.950 1.00 0.91 H new ATOM 0 HG21 VAL A 78 3.728 8.891 1.628 1.00 0.58 H new ATOM 0 HG22 VAL A 78 3.724 8.046 0.062 1.00 0.58 H new ATOM 0 HG23 VAL A 78 5.251 8.270 0.947 1.00 0.58 H new ATOM 1320 N LEU A 79 4.851 11.211 -3.244 1.00 0.21 N ATOM 1321 CA LEU A 79 4.903 12.413 -4.065 1.00 0.21 C ATOM 1322 C LEU A 79 3.801 13.380 -3.652 1.00 0.21 C ATOM 1323 O LEU A 79 3.980 14.599 -3.680 1.00 0.39 O ATOM 1324 CB LEU A 79 4.748 12.053 -5.546 1.00 0.24 C ATOM 1325 CG LEU A 79 5.852 11.163 -6.125 1.00 0.44 C ATOM 1326 CD1 LEU A 79 5.922 9.838 -5.381 1.00 0.51 C ATOM 1327 CD2 LEU A 79 5.616 10.927 -7.608 1.00 0.38 C ATOM 0 H LEU A 79 4.325 10.442 -3.659 1.00 0.21 H new ATOM 0 HA LEU A 79 5.871 12.892 -3.917 1.00 0.21 H new ATOM 0 HB2 LEU A 79 3.791 11.550 -5.682 1.00 0.24 H new ATOM 0 HB3 LEU A 79 4.708 12.976 -6.125 1.00 0.24 H new ATOM 0 HG LEU A 79 6.806 11.675 -6.000 1.00 0.44 H new ATOM 0 HD11 LEU A 79 6.713 9.222 -5.809 1.00 0.51 H new ATOM 0 HD12 LEU A 79 6.135 10.023 -4.328 1.00 0.51 H new ATOM 0 HD13 LEU A 79 4.968 9.319 -5.472 1.00 0.51 H new ATOM 0 HD21 LEU A 79 6.408 10.293 -8.006 1.00 0.38 H new ATOM 0 HD22 LEU A 79 4.653 10.436 -7.750 1.00 0.38 H new ATOM 0 HD23 LEU A 79 5.617 11.882 -8.133 1.00 0.38 H new ATOM 1339 N GLU A 80 2.664 12.820 -3.262 1.00 0.18 N ATOM 1340 CA GLU A 80 1.523 13.611 -2.824 1.00 0.18 C ATOM 1341 C GLU A 80 0.883 12.973 -1.595 1.00 0.16 C ATOM 1342 O GLU A 80 0.915 11.753 -1.439 1.00 0.19 O ATOM 1343 CB GLU A 80 0.498 13.730 -3.953 1.00 0.24 C ATOM 1344 CG GLU A 80 -0.149 12.409 -4.331 1.00 0.93 C ATOM 1345 CD GLU A 80 -1.628 12.549 -4.633 1.00 1.67 C ATOM 1346 OE1 GLU A 80 -2.283 13.409 -4.009 1.00 2.24 O ATOM 1347 OE2 GLU A 80 -2.131 11.799 -5.497 1.00 2.16 O ATOM 0 H GLU A 80 2.507 11.812 -3.240 1.00 0.18 H new ATOM 0 HA GLU A 80 1.869 14.610 -2.560 1.00 0.18 H new ATOM 0 HB2 GLU A 80 -0.279 14.433 -3.654 1.00 0.24 H new ATOM 0 HB3 GLU A 80 0.986 14.150 -4.832 1.00 0.24 H new ATOM 0 HG2 GLU A 80 0.359 11.997 -5.203 1.00 0.93 H new ATOM 0 HG3 GLU A 80 -0.014 11.697 -3.517 1.00 0.93 H new ATOM 1354 N PRO A 81 0.336 13.797 -0.678 1.00 0.20 N ATOM 1355 CA PRO A 81 -0.301 13.316 0.552 1.00 0.22 C ATOM 1356 C PRO A 81 -1.026 11.991 0.350 1.00 0.20 C ATOM 1357 O PRO A 81 -1.887 11.866 -0.520 1.00 0.22 O ATOM 1358 CB PRO A 81 -1.267 14.446 0.875 1.00 0.28 C ATOM 1359 CG PRO A 81 -0.527 15.668 0.441 1.00 0.33 C ATOM 1360 CD PRO A 81 0.261 15.266 -0.783 1.00 0.28 C ATOM 0 HA PRO A 81 0.410 13.104 1.350 1.00 0.22 H new ATOM 0 HB2 PRO A 81 -2.209 14.335 0.338 1.00 0.28 H new ATOM 0 HB3 PRO A 81 -1.507 14.478 1.938 1.00 0.28 H new ATOM 0 HG2 PRO A 81 -1.216 16.480 0.211 1.00 0.33 H new ATOM 0 HG3 PRO A 81 0.134 16.025 1.231 1.00 0.33 H new ATOM 0 HD2 PRO A 81 -0.237 15.578 -1.701 1.00 0.28 H new ATOM 0 HD3 PRO A 81 1.252 15.719 -0.789 1.00 0.28 H new ATOM 1368 N VAL A 82 -0.616 10.989 1.117 1.00 0.20 N ATOM 1369 CA VAL A 82 -1.138 9.643 0.956 1.00 0.19 C ATOM 1370 C VAL A 82 -2.149 9.281 2.053 1.00 0.18 C ATOM 1371 O VAL A 82 -1.922 9.530 3.238 1.00 0.24 O ATOM 1372 CB VAL A 82 0.043 8.622 0.885 1.00 0.24 C ATOM 1373 CG1 VAL A 82 0.090 7.650 2.063 1.00 0.31 C ATOM 1374 CG2 VAL A 82 0.004 7.865 -0.433 1.00 0.34 C ATOM 0 H VAL A 82 0.078 11.086 1.858 1.00 0.20 H new ATOM 0 HA VAL A 82 -1.688 9.598 0.016 1.00 0.19 H new ATOM 0 HB VAL A 82 0.959 9.209 0.947 1.00 0.24 H new ATOM 0 HG11 VAL A 82 0.936 6.973 1.943 1.00 0.31 H new ATOM 0 HG12 VAL A 82 0.202 8.209 2.992 1.00 0.31 H new ATOM 0 HG13 VAL A 82 -0.834 7.073 2.096 1.00 0.31 H new ATOM 0 HG21 VAL A 82 0.832 7.157 -0.470 1.00 0.34 H new ATOM 0 HG22 VAL A 82 -0.939 7.325 -0.515 1.00 0.34 H new ATOM 0 HG23 VAL A 82 0.092 8.570 -1.260 1.00 0.34 H new ATOM 1384 N ARG A 83 -3.248 8.666 1.635 1.00 0.14 N ATOM 1385 CA ARG A 83 -4.285 8.204 2.550 1.00 0.17 C ATOM 1386 C ARG A 83 -4.738 6.808 2.134 1.00 0.22 C ATOM 1387 O ARG A 83 -5.284 6.633 1.048 1.00 0.25 O ATOM 1388 CB ARG A 83 -5.472 9.169 2.542 1.00 0.20 C ATOM 1389 CG ARG A 83 -5.993 9.509 3.929 1.00 0.62 C ATOM 1390 CD ARG A 83 -5.908 11.001 4.206 1.00 0.92 C ATOM 1391 NE ARG A 83 -7.202 11.661 4.054 1.00 1.25 N ATOM 1392 CZ ARG A 83 -7.385 12.968 4.212 1.00 1.71 C ATOM 1393 NH1 ARG A 83 -6.362 13.751 4.526 1.00 2.02 N ATOM 1394 NH2 ARG A 83 -8.593 13.493 4.056 1.00 2.42 N ATOM 0 H ARG A 83 -3.446 8.473 0.653 1.00 0.14 H new ATOM 0 HA ARG A 83 -3.881 8.168 3.562 1.00 0.17 H new ATOM 0 HB2 ARG A 83 -5.177 10.090 2.039 1.00 0.20 H new ATOM 0 HB3 ARG A 83 -6.281 8.731 1.957 1.00 0.20 H new ATOM 0 HG2 ARG A 83 -7.028 9.179 4.021 1.00 0.62 H new ATOM 0 HG3 ARG A 83 -5.417 8.965 4.678 1.00 0.62 H new ATOM 0 HD2 ARG A 83 -5.536 11.161 5.218 1.00 0.92 H new ATOM 0 HD3 ARG A 83 -5.187 11.455 3.526 1.00 0.92 H new ATOM 0 HE ARG A 83 -8.010 11.087 3.813 1.00 1.25 H new ATOM 0 HH11 ARG A 83 -5.432 13.351 4.647 1.00 2.02 H new ATOM 0 HH12 ARG A 83 -6.505 14.754 4.647 1.00 2.02 H new ATOM 0 HH21 ARG A 83 -9.382 12.894 3.815 1.00 2.42 H new ATOM 0 HH22 ARG A 83 -8.733 14.496 4.177 1.00 2.42 H new ATOM 1408 N LYS A 84 -4.467 5.807 2.968 1.00 0.28 N ATOM 1409 CA LYS A 84 -4.795 4.431 2.610 1.00 0.37 C ATOM 1410 C LYS A 84 -5.426 3.661 3.770 1.00 0.27 C ATOM 1411 O LYS A 84 -5.234 3.998 4.939 1.00 0.23 O ATOM 1412 CB LYS A 84 -3.536 3.709 2.088 1.00 0.56 C ATOM 1413 CG LYS A 84 -2.776 2.894 3.131 1.00 0.47 C ATOM 1414 CD LYS A 84 -1.286 2.845 2.831 1.00 0.91 C ATOM 1415 CE LYS A 84 -1.019 2.390 1.406 1.00 1.17 C ATOM 1416 NZ LYS A 84 -0.646 3.528 0.521 1.00 1.63 N ATOM 0 H LYS A 84 -4.028 5.920 3.882 1.00 0.28 H new ATOM 0 HA LYS A 84 -5.543 4.465 1.818 1.00 0.37 H new ATOM 0 HB2 LYS A 84 -3.828 3.046 1.274 1.00 0.56 H new ATOM 0 HB3 LYS A 84 -2.859 4.452 1.666 1.00 0.56 H new ATOM 0 HG2 LYS A 84 -2.934 3.328 4.118 1.00 0.47 H new ATOM 0 HG3 LYS A 84 -3.175 1.880 3.161 1.00 0.47 H new ATOM 0 HD2 LYS A 84 -0.850 3.832 2.987 1.00 0.91 H new ATOM 0 HD3 LYS A 84 -0.796 2.166 3.529 1.00 0.91 H new ATOM 0 HE2 LYS A 84 -0.218 1.651 1.405 1.00 1.17 H new ATOM 0 HE3 LYS A 84 -1.907 1.898 1.010 1.00 1.17 H new ATOM 0 HZ1 LYS A 84 0.002 3.193 -0.220 1.00 1.63 H new ATOM 0 HZ2 LYS A 84 -1.502 3.920 0.080 1.00 1.63 H new ATOM 0 HZ3 LYS A 84 -0.177 4.266 1.084 1.00 1.63 H new ATOM 1430 N HIS A 85 -6.154 2.605 3.424 1.00 0.28 N ATOM 1431 CA HIS A 85 -6.775 1.736 4.415 1.00 0.22 C ATOM 1432 C HIS A 85 -5.903 0.504 4.629 1.00 0.22 C ATOM 1433 O HIS A 85 -4.997 0.235 3.839 1.00 0.27 O ATOM 1434 CB HIS A 85 -8.179 1.331 3.965 1.00 0.28 C ATOM 1435 CG HIS A 85 -9.073 2.504 3.706 1.00 0.31 C ATOM 1436 ND1 HIS A 85 -10.360 2.594 4.192 1.00 0.41 N ATOM 1437 CD2 HIS A 85 -8.851 3.647 3.021 1.00 0.37 C ATOM 1438 CE1 HIS A 85 -10.896 3.738 3.804 1.00 0.50 C ATOM 1439 NE2 HIS A 85 -9.998 4.396 3.093 1.00 0.48 N ATOM 0 H HIS A 85 -6.329 2.329 2.458 1.00 0.28 H new ATOM 0 HA HIS A 85 -6.865 2.275 5.358 1.00 0.22 H new ATOM 0 HB2 HIS A 85 -8.105 0.731 3.058 1.00 0.28 H new ATOM 0 HB3 HIS A 85 -8.631 0.699 4.729 1.00 0.28 H new ATOM 0 HD2 HIS A 85 -7.939 3.921 2.511 1.00 0.37 H new ATOM 0 HE1 HIS A 85 -11.896 4.077 4.030 1.00 0.50 H new ATOM 0 HE2 HIS A 85 -10.135 5.312 2.667 1.00 0.48 H new ATOM 1448 N TYR A 86 -6.134 -0.211 5.721 1.00 0.22 N ATOM 1449 CA TYR A 86 -5.284 -1.344 6.068 1.00 0.26 C ATOM 1450 C TYR A 86 -6.041 -2.663 6.127 1.00 0.26 C ATOM 1451 O TYR A 86 -7.234 -2.705 6.417 1.00 0.30 O ATOM 1452 CB TYR A 86 -4.629 -1.094 7.421 1.00 0.36 C ATOM 1453 CG TYR A 86 -3.537 -0.056 7.384 1.00 0.37 C ATOM 1454 CD1 TYR A 86 -2.427 -0.226 6.570 1.00 0.52 C ATOM 1455 CD2 TYR A 86 -3.614 1.088 8.164 1.00 0.64 C ATOM 1456 CE1 TYR A 86 -1.425 0.719 6.529 1.00 0.53 C ATOM 1457 CE2 TYR A 86 -2.614 2.039 8.133 1.00 0.72 C ATOM 1458 CZ TYR A 86 -1.532 1.863 7.316 1.00 0.48 C ATOM 1459 OH TYR A 86 -0.519 2.794 7.280 1.00 0.57 O ATOM 0 H TYR A 86 -6.894 -0.031 6.377 1.00 0.22 H new ATOM 0 HA TYR A 86 -4.538 -1.429 5.278 1.00 0.26 H new ATOM 0 HB2 TYR A 86 -5.393 -0.779 8.132 1.00 0.36 H new ATOM 0 HB3 TYR A 86 -4.215 -2.031 7.793 1.00 0.36 H new ATOM 0 HD1 TYR A 86 -2.347 -1.113 5.959 1.00 0.52 H new ATOM 0 HD2 TYR A 86 -4.470 1.237 8.806 1.00 0.64 H new ATOM 0 HE1 TYR A 86 -0.565 0.574 5.892 1.00 0.53 H new ATOM 0 HE2 TYR A 86 -2.686 2.920 8.753 1.00 0.72 H new ATOM 0 HH TYR A 86 -0.791 3.593 7.778 1.00 0.57 H new ATOM 1469 N ASN A 87 -5.299 -3.742 5.908 1.00 0.27 N ATOM 1470 CA ASN A 87 -5.844 -5.091 5.967 1.00 0.27 C ATOM 1471 C ASN A 87 -4.719 -6.092 6.216 1.00 0.32 C ATOM 1472 O ASN A 87 -4.469 -6.981 5.402 1.00 0.39 O ATOM 1473 CB ASN A 87 -6.575 -5.425 4.666 1.00 0.26 C ATOM 1474 CG ASN A 87 -7.706 -6.413 4.874 1.00 0.39 C ATOM 1475 OD1 ASN A 87 -8.356 -6.421 5.919 1.00 1.27 O ATOM 1476 ND2 ASN A 87 -7.947 -7.253 3.874 1.00 1.00 N ATOM 0 H ASN A 87 -4.304 -3.706 5.685 1.00 0.27 H new ATOM 0 HA ASN A 87 -6.558 -5.150 6.788 1.00 0.27 H new ATOM 0 HB2 ASN A 87 -6.973 -4.508 4.231 1.00 0.26 H new ATOM 0 HB3 ASN A 87 -5.865 -5.836 3.949 1.00 0.26 H new ATOM 0 HD21 ASN A 87 -8.696 -7.940 3.955 1.00 1.00 H new ATOM 0 HD22 ASN A 87 -7.383 -7.211 3.025 1.00 1.00 H new ATOM 1483 N LEU A 88 -4.029 -5.920 7.343 1.00 0.36 N ATOM 1484 CA LEU A 88 -2.905 -6.781 7.702 1.00 0.43 C ATOM 1485 C LEU A 88 -3.379 -8.032 8.434 1.00 0.49 C ATOM 1486 O LEU A 88 -4.385 -8.006 9.143 1.00 0.52 O ATOM 1487 CB LEU A 88 -1.908 -6.018 8.581 1.00 0.53 C ATOM 1488 CG LEU A 88 -1.352 -4.728 7.973 1.00 0.62 C ATOM 1489 CD1 LEU A 88 -2.403 -3.630 7.997 1.00 1.21 C ATOM 1490 CD2 LEU A 88 -0.100 -4.286 8.715 1.00 1.56 C ATOM 0 H LEU A 88 -4.231 -5.189 8.025 1.00 0.36 H new ATOM 0 HA LEU A 88 -2.413 -7.086 6.778 1.00 0.43 H new ATOM 0 HB2 LEU A 88 -2.394 -5.775 9.526 1.00 0.53 H new ATOM 0 HB3 LEU A 88 -1.073 -6.680 8.813 1.00 0.53 H new ATOM 0 HG LEU A 88 -1.085 -4.924 6.935 1.00 0.62 H new ATOM 0 HD11 LEU A 88 -1.989 -2.721 7.561 1.00 1.21 H new ATOM 0 HD12 LEU A 88 -3.273 -3.946 7.421 1.00 1.21 H new ATOM 0 HD13 LEU A 88 -2.702 -3.435 9.027 1.00 1.21 H new ATOM 0 HD21 LEU A 88 0.282 -3.367 8.269 1.00 1.56 H new ATOM 0 HD22 LEU A 88 -0.342 -4.108 9.763 1.00 1.56 H new ATOM 0 HD23 LEU A 88 0.659 -5.066 8.645 1.00 1.56 H new ATOM 1502 N PHE A 89 -2.660 -9.133 8.236 1.00 0.57 N ATOM 1503 CA PHE A 89 -3.005 -10.395 8.879 1.00 0.67 C ATOM 1504 C PHE A 89 -2.086 -10.672 10.063 1.00 1.02 C ATOM 1505 O PHE A 89 -0.881 -10.354 9.964 1.00 1.77 O ATOM 1506 CB PHE A 89 -2.916 -11.544 7.871 1.00 1.01 C ATOM 1507 CG PHE A 89 -3.872 -11.407 6.721 1.00 0.71 C ATOM 1508 CD1 PHE A 89 -3.668 -10.447 5.743 1.00 1.00 C ATOM 1509 CD2 PHE A 89 -4.978 -12.236 6.620 1.00 1.05 C ATOM 1510 CE1 PHE A 89 -4.546 -10.317 4.684 1.00 1.03 C ATOM 1511 CE2 PHE A 89 -5.860 -12.111 5.563 1.00 1.19 C ATOM 1512 CZ PHE A 89 -5.645 -11.150 4.595 1.00 0.93 C ATOM 1513 OXT PHE A 89 -2.577 -11.203 11.081 1.00 1.45 O ATOM 0 H PHE A 89 -1.836 -9.176 7.636 1.00 0.57 H new ATOM 0 HA PHE A 89 -4.028 -10.319 9.247 1.00 0.67 H new ATOM 0 HB2 PHE A 89 -1.899 -11.599 7.483 1.00 1.01 H new ATOM 0 HB3 PHE A 89 -3.112 -12.485 8.386 1.00 1.01 H new ATOM 0 HD1 PHE A 89 -2.812 -9.792 5.809 1.00 1.00 H new ATOM 0 HD2 PHE A 89 -5.153 -12.988 7.375 1.00 1.05 H new ATOM 0 HE1 PHE A 89 -4.374 -9.566 3.927 1.00 1.03 H new ATOM 0 HE2 PHE A 89 -6.717 -12.765 5.494 1.00 1.19 H new ATOM 0 HZ PHE A 89 -6.335 -11.050 3.770 1.00 0.93 H new TER 1523 PHE A 89